SCHEMBL4723394

SCHEMBL4723394

COC(=O)C1CCN(c2ccc(C(F)(F)F)c(-n3nc(-c4cc(OC)cc(OC)c4)c4c(c3=O)CCC4)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
NOTUM Q6P988 14/20 0.38
UGCG Q16739 1/20 0.36
S1PR1 P21453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL4718934 0.93 NOTUM (0.47) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4722706 0.93 NOTUM (0.48) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4722787 0.93 NOTUM (0.48) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4722716 0.92 NOTUM (0.38) HSD11B1NOTUMUGCGS1PR1PDE4A
SCHEMBL4719376 0.92 NOTUM (0.49) NOTUMUGCGS1PR1PDE4APDE4B
SCHEMBL4721983 0.91 NOTUM (0.40) NOTUMUGCGS1PR1
SCHEMBL4721118 0.91 NOTUM (0.43) NOTUM
SCHEMBL4721985 0.89 NOTUM (0.46) NOTUM
SCHEMBL4724695 0.89 P2RX7 (0.38) HSD11B1UGCGPDE4APDE4BPDE4C
SCHEMBL4719498 0.89 P2RX7 (0.38) HSD11B1UGCGPDE4APDE4BPDE4C

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