SCHEMBL3365580

SCHEMBL3365580

Cn1cc(OC(=O)NC[C@@H]2CCCCN2C(=O)c2nc(C3CC3)sc2-c2cccc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.41
HCRTR2 O43614 19/20 0.41
CHRM3 P20309 1/20 0.37

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
SCHEMBL3365089 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL3365182 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3362997 0.91 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3365190 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3363382 0.89 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3364134 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3362248 0.87 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL3360885 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3361281 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3361276 0.84 HCRTR1 (0.47) HCRTR1HCRTR2

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-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP claimed