SCHEMBL4783838

SCHEMBL4783838

Cc1ncc(Nc2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NC2CN3CCC2CC3)nn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.37
HTR3A P46098 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
NR1I2 O75469 1/20 0.34
USP30 Q70CQ3 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL4783842 0.91 TEK (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4779570 0.86 SSTR4 (0.40) NR1I2GPR119
SCHEMBL4781607 0.86 ACKR3 (0.41) NR1I2GPR119
SCHEMBL4780707 0.85 NR1I2 (0.36) NR1I2GPR119
SCHEMBL4780817 0.82 NR1I2 (0.36) NR1I2USP30GPR119
SCHEMBL4782033 0.82 NR1I2 (0.35) NR1I2USP30GPR119
SCHEMBL4779207 0.81 NR1I2 (0.38) NR1I2USP30GPR119
SCHEMBL4783140 0.81 MAPK14 (0.36) NR1I2
SCHEMBL4782188 0.80 MEN1 (0.42) NR1I2
SCHEMBL4782925 0.79 ACKR3 (0.51) USP30

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed