SCHEMBL6176477

SCHEMBL6176477

CCOC(=O)c1ccc(NC(=O)NC2CN(C(=O)c3cccs3)c3ccc(C)cc3N(CC(=O)c3cccs3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
THRB P10828 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6195394 0.90 MAPT (0.35) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6181535 0.86 MAPK1 (0.44) KMT2AMAPTTP53LMNARAB9A
SCHEMBL6177998 0.86 CCKBR (0.47) KMT2ALMNAMAPK1HSD17B10CCKBR
SCHEMBL6178050 0.85 CCKBR (0.50) CCKBR
SCHEMBL6180199 0.83 TP53 (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6177376 0.82 TP53 (0.42) MEN1KMT2AMAPTTP53LMNA
SCHEMBL7960425 0.80 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL6181559 0.80 MAPT (0.44) MEN1KMT2AMAPTTP53LMNA
SCHEMBL6180953 0.80 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6176746 0.79 CCKBR (0.52) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed