SCHEMBL3723937

SCHEMBL3723937

C#CCn1c(NCCc2ccc(C(F)(F)F)cc2)nc2c(c1=O)CNCC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 15/20 0.42
EGLN1 Q9GZT9 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAOB P27338 1/20 0.36
CLPP Q16740 1/20 0.35
GPR18 Q14330 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
SCHEMBL3716628 0.91 PRLHR (0.44) PRLHREGLN1HTR2CHTR2BCLPP
SCHEMBL3716376 0.89 PRLHR (0.44) PRLHR
SCHEMBL3714704 0.81 HTR2C (0.40) PRLHREGLN1HTR2CHTR2B
SCHEMBL3713567 0.81 PRLHR (0.49) PRLHRHTR2CHTR2B
SCHEMBL452345 0.81 PRLHR (0.63) PRLHR
SCHEMBL434363 0.81 PRLHR (0.63) PRLHR
SCHEMBL3720701 0.80 PRLHR (0.42) PRLHREGLN1HTR2CHTR2B
SCHEMBL3719992 0.78 PRLHR (0.43) PRLHREGLN1HTR2CHTR2B
SCHEMBL3712993 0.77 PRLHR (0.54) PRLHR
SCHEMBL3724228 0.76 PRLHR (0.48) PRLHRHTR2CHTR2B

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
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed