SCHEMBL641081

SCHEMBL641081

NC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.55
NOTUM Q6P988 6/20 0.53
SCN9A Q15858 1/20 0.46
CHRM4 P08173 7/20 0.45
PDK2 Q15119 1/20 0.42
CHRM2 P08172 2/20 0.42
PTGES O14684 1/20 0.40

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
SCHEMBL640945 0.90 NOTUM (0.53) FFAR4NOTUMSCN9APDK2PTGES
SCHEMBL641984 0.86 NOTUM (0.50) FFAR4NOTUMSCN9A
SCHEMBL642235 0.82 NOTUM (0.48) FFAR4NOTUMSCN9A
SCHEMBL12717115 0.82 FFAR4 (0.72) FFAR4NOTUMCHRM4CHRM2
SCHEMBL13630728 0.78 NOTUM (0.58) FFAR4NOTUMCHRM4PDK2CHRM2
SCHEMBL1817248 0.76 NOTUM (0.60) FFAR4NOTUMPDK2
SCHEMBL6498392 0.76 NOTUM (0.85) FFAR4NOTUMCHRM4PDK2CHRM2
SCHEMBL642432 0.76 NOTUM (0.48) NOTUMSCN9A
SCHEMBL18825722 0.76 FFAR4 (0.57) FFAR4NOTUMCHRM4PDK2CHRM2
SCHEMBL16695371 0.75 NOTUM (0.74) FFAR4NOTUMCHRM4

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
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed