SCHEMBL4721118

SCHEMBL4721118

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.43
RXFP1 Q9HBX9 3/20 0.40
EPHX2 P34913 8/20 0.39
DGAT2 Q96PD7 1/20 0.37
ACACB O00763 1/20 0.36
CHRM4 P08173 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4721985 0.94 NOTUM (0.46) NOTUMEPHX2DGAT2CHRM4MAPT
SCHEMBL4722787 0.92 NOTUM (0.48) NOTUMRXFP1EPHX2MAPT
SCHEMBL4722706 0.92 NOTUM (0.48) NOTUMRXFP1EPHX2MAPT
SCHEMBL4721983 0.91 NOTUM (0.40) NOTUMACACBMAPT
SCHEMBL4723394 0.91 HSD11B1 (0.39) NOTUM
SCHEMBL4722716 0.91 NOTUM (0.38) NOTUM
SCHEMBL4718934 0.90 NOTUM (0.47) NOTUM
SCHEMBL4719376 0.88 NOTUM (0.49) NOTUM
SCHEMBL4722947 0.87 MAPT (0.39) NOTUMACACBPOLBMAPTTDP1
SCHEMBL4722930 0.87 PDE4A (0.37) NOTUMMAPTTDP1

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