SCHEMBL4722706

SCHEMBL4722706

CNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)c(-n3nc(-c4cc(OC)cc(OC)c4)c4c(c3=O)CCC4)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.48
UGCG Q16739 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 2/20 0.35
S1PR1 P21453 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL4722787 1.00 NOTUM (0.48) NOTUMUGCGMAPTEPHX2S1PR1
SCHEMBL4721533 0.94 NOTUM (0.39) NOTUMUGCGMAPTEPHX2PDE4A
SCHEMBL4721983 0.93 NOTUM (0.40) NOTUMUGCGMAPTS1PR1
SCHEMBL4723394 0.93 HSD11B1 (0.39) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4721118 0.92 NOTUM (0.43) NOTUMMAPTEPHX2RXFP1
SCHEMBL4718934 0.92 NOTUM (0.47) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4722716 0.91 NOTUM (0.38) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4721985 0.91 NOTUM (0.46) NOTUMMAPTEPHX2
SCHEMBL4719376 0.90 NOTUM (0.49) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4722304 0.89 NOTUM (0.36) NOTUMUGCGMAPTPDE4APDE4B

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed