SCHEMBL3411049

SCHEMBL3411049

COc1cc(OC)cc(C(=O)NCC2[C@H]3CC3CN2C(=O)c2nc(C)sc2-c2cccc(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.56
HCRTR2 O43614 14/20 0.56
TP53 P04637 1/20 0.46
MAPT P10636 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
SCHEMBL2931501 1.00 HCRTR1 (0.56) HCRTR1HCRTR2TP53MAPT
SCHEMBL2929530 1.00 HCRTR1 (0.56) HCRTR1HCRTR2TP53MAPT
SCHEMBL2931500 1.00 HCRTR1 (0.56) HCRTR1HCRTR2TP53MAPT
SCHEMBL1340559 1.00 HCRTR1 (0.56) HCRTR1HCRTR2TP53MAPT
SCHEMBL1340563 1.00 HCRTR1 (0.56) HCRTR1HCRTR2TP53MAPT
SCHEMBL2927553 0.95 HCRTR1 (0.54) HCRTR1HCRTR2MAPT
SCHEMBL2927550 0.95 HCRTR1 (0.54) HCRTR1HCRTR2MAPT
SCHEMBL2927555 0.95 HCRTR1 (0.54) HCRTR1HCRTR2MAPT
SCHEMBL2930473 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2930469 0.94 HCRTR1 (0.55) 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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed