SCHEMBL4721983

SCHEMBL4721983

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(C(=O)NC(C)C)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.40
PIK3CD O00329 1/20 0.37
ACACB O00763 2/20 0.37
UGCG Q16739 1/20 0.35
MAPT P10636 1/20 0.34
S1PR1 P21453 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 0.93 NOTUM (0.48) NOTUMUGCGMAPTS1PR1
SCHEMBL4722706 0.93 NOTUM (0.48) NOTUMUGCGMAPTS1PR1
SCHEMBL4723394 0.91 HSD11B1 (0.39) NOTUMUGCGS1PR1
SCHEMBL4721118 0.91 NOTUM (0.43) NOTUMACACBMAPT
SCHEMBL4718934 0.90 NOTUM (0.47) NOTUMUGCGS1PR1
SCHEMBL4722716 0.90 NOTUM (0.38) NOTUMUGCGS1PR1
SCHEMBL4721985 0.90 NOTUM (0.46) NOTUMMAPT
SCHEMBL4719376 0.89 NOTUM (0.49) NOTUMPIK3CDUGCGS1PR1
SCHEMBL4720787 0.87 MTNR1A (0.36) ACACBUGCG
SCHEMBL4720791 0.87 MTNR1A (0.36) ACACBUGCG

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