SCHEMBL3416100

SCHEMBL3416100

CC1(C)Cc2cccc(OC(=O)NC[C@@H]3[C@H]4C[C@H]4CN3C(=O)c3nc(N)sc3-c3cccc(F)c3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.40
HCRTR2 O43614 8/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1340308 0.90 HCRTR1 (0.45) HCRTR1HCRTR2LMNA
SCHEMBL3415501 0.87 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3418150 0.86 HCRTR1 (0.47) HCRTR1HCRTR2LMNA
SCHEMBL3415736 0.86 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL1571923 0.86 HCRTR1 (0.42) HCRTR1HCRTR2LMNA
SCHEMBL3415522 0.85 HCRTR1 (0.42) HCRTR1HCRTR2LMNA
SCHEMBL3415868 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL3414585 0.81 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3413767 0.80 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3414654 0.80 HCRTR1 (0.43) 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