SCHEMBL7508952

SCHEMBL7508952

CC(C)(C)OC(=O)C(N)C1CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TMEM97 Q5BJF2 4/20 0.41
▸ SIGMAR1 Q99720 4/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ SLC6A4 P31645 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
SCHEMBL22418648 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL22418645 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL22418647 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL23268627 0.81 CTSL (0.48) SMN1; SMN2NPC1RAB9AHTTPDE4B
SCHEMBL27738813 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL4124649 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2621382 0.78 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL70761 0.78 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL2621378 0.78 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL70762 0.78 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 — — EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 — — CN disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 — — US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 — — US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 — — WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 — — CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 — — US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 — — WO disclosed
Send feedback