SCHEMBL3414977

SCHEMBL3414977

Cc1cccc(-c2sccc2C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)c2cccc(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.49
HCRTR2 O43614 5/20 0.49
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD4 P21917 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1340454 1.00 HCRTR1 (0.49) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL3414972 1.00 HCRTR1 (0.49) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL1340453 1.00 HCRTR1 (0.49) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL1340949 0.94 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL3415595 0.94 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL1340950 0.94 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL3415599 0.94 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2ADRD4
SCHEMBL1340331 0.93 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2AHPGD
SCHEMBL1340333 0.93 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2AHPGD
SCHEMBL1339036 0.90 HCRTR1 (0.49) HCRTR1HCRTR2DRD4

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 disclosed