SCHEMBL3363005

SCHEMBL3363005

Cc1nc2sccn2c1OC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.43
HCRTR2 O43614 19/20 0.43
TSPO P30536 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CHRM3 P20309 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
SCHEMBL3362981 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3396097 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3638516 0.88 HCRTR1 (0.50) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3365422 0.88 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3359733 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3360858 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3362191 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL27801755 0.82 HCRTR1 (0.53) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3055327 0.82 HCRTR1 (0.47) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3055329 0.82 HCRTR1 (0.47) 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