SCHEMBL3363290

SCHEMBL3363290

CC1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.56
HCRTR2 O43614 12/20 0.56
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3363257 0.97 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3363286 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3053180 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3050213 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3363252 0.84 HCRTR1 (0.56) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3059256 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3059254 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3038243 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3364004 0.82 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1
SCHEMBL3361876 0.81 HCRTR1 (0.49) 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