SCHEMBL4043465

SCHEMBL4043465

O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.41
MC3R P41968 2/20 0.41
MC1R Q01726 2/20 0.41
GPR132 Q9UNW8 1/20 0.37
BCL2 P10415 1/20 0.36
ELANE P08246 1/20 0.36
CTSK P43235 2/20 0.36
ITGA4 P13612 6/20 0.36
ITGB7 P26010 6/20 0.36
P2RX7 Q99572 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ACE P12821 1/20 0.35
SCN9A Q15858 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4042529 0.94 BCL2 (0.38) MC4RMC3RMC1RGPR132BCL2
SCHEMBL4042585 0.93 USP30 (0.39) MC4RMC3RMC1RBCL2ELANE
SCHEMBL4041436 0.90 ALDH1A1 (0.39) MC4RMC3RMC1RGPR132BCL2
SCHEMBL4045597 0.90 ACE (0.36) MC4RMC3RMC1RGPR132BCL2
SCHEMBL4050328 0.89 SCN9A (0.39) MC4RMC3RMC1RGPR132CTSK
SCHEMBL4045571 0.89 CTSK (0.46) ELANECTSK
SCHEMBL4040539 0.88 MC4R (0.41) MC4RMC3RMC1RCTSKITGA4
SCHEMBL4043596 0.88 ELANE (0.38) MC4RMC3RMC1RGPR132ELANE
SCHEMBL6213140 0.85 CTSK (0.44) MC4RMC3RMC1RGPR132BCL2
SCHEMBL4046868 0.84 ITGB1 (0.37) GPR132BCL2CTSKITGA4ITGB7

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed