SCHEMBL3431383

SCHEMBL3431383

Cc1ccc(-c2sccc2C(=O)N2CC3CC3C2CNC(=O)c2cccc(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.46
HCRTR2 O43614 1/20 0.46
DRD4 P21917 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL1338187 1.00 HCRTR1 (0.46) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL1338185 1.00 HCRTR1 (0.46) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL1340949 0.94 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL1340950 0.94 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL3415595 0.94 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL3415599 0.94 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL3413899 0.92 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2AOPRM1
SCHEMBL1340331 0.92 HCRTR1 (0.42) HCRTR1HCRTR2HPGDMEN1KMT2A
SCHEMBL1340695 0.92 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2AOPRM1
SCHEMBL1340333 0.92 HCRTR1 (0.42) HCRTR1HCRTR2HPGDMEN1KMT2A

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