SCHEMBL7305512

SCHEMBL7305512

CC(C)C(NC(=O)N(C)Cc1cccnc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
NAMPT P43490 1/20 0.54
GPR132 Q9UNW8 2/20 0.53
RIPK1 Q13546 1/20 0.51
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
ACACB O00763 1/20 0.47
CA2 P00918 1/20 0.47
ADAMTS4 O75173 2/20 0.47
TBXAS1 P24557 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7305521 1.00 LMNA (0.58) LMNANAMPTGPR132RIPK1CHRNB2
SCHEMBL7311226 0.88 LMNA (0.53) LMNANAMPTGPR132RIPK1CHRNB2
SCHEMBL7311229 0.88 LMNA (0.53) LMNANAMPTGPR132RIPK1CHRNB2
SCHEMBL24568366 0.87 LMNA (0.60) LMNANAMPTRIPK1CHRNB2CHRNA4
SCHEMBL5711217 0.85 NPC1 (0.56) LMNACA2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7341937 0.82 CA2 (0.72) LMNANAMPTRIPK1ACACBCA2
SCHEMBL7338211 0.82 CA2 (0.72) LMNANAMPTRIPK1ACACBCA2
SCHEMBL7334995 0.82 CA2 (0.72) LMNANAMPTRIPK1ACACBCA2
SCHEMBL7310054 0.82 CA2 (0.42) LMNAGPR132CA2ALDH1A1SMN1; SMN2
SCHEMBL7310062 0.82 CA2 (0.42) LMNAGPR132CA2ALDH1A1SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed