SCHEMBL4721985

SCHEMBL4721985

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.46
EPHX2 P34913 7/20 0.40
CHRM4 P08173 4/20 0.38
RAB9A P51151 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4721118 0.94 NOTUM (0.43) NOTUMEPHX2CHRM4DGAT2MAPT
SCHEMBL4722787 0.91 NOTUM (0.48) NOTUMEPHX2MAPT
SCHEMBL4722706 0.91 NOTUM (0.48) NOTUMEPHX2MAPT
SCHEMBL4721983 0.90 NOTUM (0.40) NOTUMMAPT
SCHEMBL4723394 0.89 HSD11B1 (0.39) NOTUM
SCHEMBL4718934 0.89 NOTUM (0.47) NOTUM
SCHEMBL4722716 0.88 NOTUM (0.38) NOTUM
SCHEMBL4719376 0.87 NOTUM (0.49) NOTUM
SCHEMBL14101717 0.86 PDE4A (0.35) NOTUMMAPT
SCHEMBL4722947 0.86 MAPT (0.39) NOTUMMAPT

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