SCHEMBL6180953

SCHEMBL6180953

CCOC(=O)c1ccc(NC(=O)NC2CN(C3CCCCC3)c3ccccc3N(CC(=O)c3cccs3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
PDE7A Q13946 1/20 0.39
TP53 P04637 3/20 0.39
CCKAR P32238 2/20 0.39
CCKBR P32239 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 1/20 0.39
RIN1 Q13671 1/20 0.39
MAPK1 P28482 1/20 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
LMNA P02545 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
SCHEMBL6192779 0.90 MAPT (0.39) MAPTSMN1; SMN2PDE7ATP53CCKAR
SCHEMBL6176331 0.85 CCKBR (0.55) MAPTSMN1; SMN2CCKARCCKBRNPC1
SCHEMBL6180528 0.83 CCKBR (0.46) CCKBR
SCHEMBL6180523 0.83 CCKBR (0.46) CCKBR
SCHEMBL6180275 0.83 CCKBR (0.46) CCKARCCKBR
SCHEMBL6180289 0.83 CCKBR (0.46) CCKARCCKBR
SCHEMBL6176477 0.80 MEN1 (0.40) MAPTSMN1; SMN2TP53CCKBRMEN1
SCHEMBL7958947 0.79 SCN9A (0.40) SMN1; SMN2CCKBRKMT2AALDH1A1
SCHEMBL6177552 0.78 CCKBR (0.49) MAPTTP53CCKARCCKBRKMT2A
SCHEMBL6179633 0.77 CCKBR (0.60) 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