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SCHEMBL3359842

SCHEMBL3359842

Cn1c(OC(=O)NC[C@@H]2CCCCN2C(=O)c2nc(C3CC3)sc2-c2ccccc2F)cc2occc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 18/20 0.44
▸ HCRTR2 O43614 17/20 0.44
▸ TSPO P30536 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL3361785 0.91 HCRTR1 (0.47) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3366191 0.90 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3363164 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3361418 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3362124 0.82 HCRTR1 (0.42) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3362248 0.82 HCRTR1 (0.43) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3055327 0.81 HCRTR1 (0.47) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3055329 0.81 HCRTR1 (0.47) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3361415 0.81 HCRTR1 (0.42) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3362355 0.81 HCRTR1 (0.43) HCRTR1HCRTR2TSPOOPRK1HTR2B

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