SCHEMBL13617371

SCHEMBL13617371

CSCn1nnnc1Cc1c2cccc(-c3ccc(C)cc3Cl)c2nn1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
IL15 P40933 1/20 0.32
IL15RA Q13261 1/20 0.32
P2RX7 Q99572 6/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL3844049 0.93 CRHR1 (0.41) CRHR1IL15IL15RA
SCHEMBL3843569 0.82 CRHR1 (0.44) CRHR1HTR2C
SCHEMBL3843615 0.82 CRHR1 (0.40) CRHR1IL15IL15RAP2RX7
SCHEMBL3843991 0.78 CRHR1 (0.38) CRHR1CYP1A2CYP2C9CYP2C19IL15
SCHEMBL3842455 0.76 CRHR1 (0.41) CRHR1
SCHEMBL3839759 0.75 CRHR1 (0.39) CRHR1P2RX7
SCHEMBL3839291 0.73 CRHR1 (0.37) CRHR1HPGD
SCHEMBL3843300 0.72 SMN1; SMN2 (0.37) CRHR1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3839810 0.70 CRHR1 (0.44) CRHR1
SCHEMBL3364574 0.70 CRHR1 (0.50) CRHR1

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-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed