SCHEMBL4676249

SCHEMBL4676249

COC(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4676251 1.00 CA2 (0.62) CA2LMNAALDH1A1HDAC6HDAC1
SCHEMBL4683611 0.91 CA2 (0.55) CA2LMNAALDH1A1HDAC6HDAC1
SCHEMBL4683608 0.91 CA2 (0.55) CA2LMNAALDH1A1HDAC6HDAC1
SCHEMBL8660662 0.90 CA2 (0.60) CA2LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7333583 0.88 CA2 (0.49) CA2LMNAALDH1A1HDAC6HDAC1
SCHEMBL9421803 0.87 CA2 (0.65) CA2LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9421805 0.87 CA2 (0.65) CA2LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2760067 0.87 CA2 (0.64) CA2ALDH1A1CYP3A4SMN1; SMN2MEN1
SCHEMBL4683895 0.87 CA2 (0.67) CA2LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2736137 0.87 CA2 (0.64) CA2ALDH1A1CYP3A4SMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997459-B1 Intermediates for preparing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-11-26 EP disclosed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5807870-A SIDE EFFECT REDUCTION BIOMEGA BOEHRINGER INGELHEIM RESEARCH LTD. (CA) 1998-09-15 US disclosed
EP-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 EP disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
CN-1096293-A Replacement pipecolinic acid derivative as the hiv protease inhibitor BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-12-14 CN disclosed
US-5362912-A Process for the preparation of a substituted diaminodiol ABBOTT LABORATORIES (US) 1994-11-08 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed
WO-1993023361-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED DIAMINODIOL ABBOTT LABORATORIES (US) 1993-11-25 WO disclosed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed