SCHEMBL5745251

SCHEMBL5745251

Cc1ccccc1-c1ccc(C(=O)N2CC(=O)CC2C(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.46
OXTR P30559 4/20 0.46
GHSR Q92847 1/20 0.44
SLC6A7 Q99884 1/20 0.43
AVPR2 P30518 3/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
NAMPT P43490 1/20 0.40
GRM5 P41594 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FFAR2 O15552 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL14155200 0.89 GHSR (0.45) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL5741557 0.87 SMN1; SMN2 (0.50) NAMPTGRM5MEN1KMT2AGAA
SCHEMBL5741564 0.87 SMN1; SMN2 (0.50) NAMPTGRM5MEN1KMT2AGAA
SCHEMBL4944058 0.85 AVPR1A (0.65) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL4944054 0.85 AVPR1A (0.65) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL6017547 0.82 AVPR1A (0.57) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL5481411 0.82 AVPR1A (0.57) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL29396604 0.82 AVPR1A (0.57) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL7083640 0.81 MAPT (0.47) AVPR1AOXTRGHSRSLC6A7NAMPT
SCHEMBL7086418 0.79 POLB (0.47) SLC6A7MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed