SCHEMBL3723010

SCHEMBL3723010

COn1c(NCCc2ccc(C#N)cc2)nc2c(c1=O)CNCC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 14/20 0.43
PDE5A O76074 2/20 0.41
HTR2C P28335 1/20 0.39
VCP P55072 1/20 0.38
TP53 P04637 1/20 0.37
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
SCHEMBL3716509 0.88 PRLHR (0.51) PRLHRHTR2CTP53MAPT
SCHEMBL3713567 0.86 PRLHR (0.49) PRLHRHTR2C
SCHEMBL3713572 0.83 PRLHR (0.49) PRLHRHTR2C
SCHEMBL3724228 0.80 PRLHR (0.48) PRLHRHTR2C
SCHEMBL434459 0.80 PRLHR (0.58) PRLHR
SCHEMBL434460 0.78 PRLHR (0.55) PRLHRVCPTP53MAPT
SCHEMBL3717900 0.78 PRLHR (0.54) PRLHR
SCHEMBL3720701 0.77 PRLHR (0.42) PRLHRHTR2C
SCHEMBL3716879 0.76 PRLHR (0.73) PRLHR
SCHEMBL3716577 0.75 GSK3B (0.37) PRLHR

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