SCHEMBL8801191

SCHEMBL8801191

CC1SCCC1CC(=O)Nc1ncccc1C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 5/20 0.36
P2RX7 Q99572 2/20 0.36
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL7569274 0.76 EPHX2 (0.51) ALDH1A1P2RX7RAB9AKMT2AMEN1
SCHEMBL8799028 0.74 DHODH (0.41) ALDH1A1P2RX7HTTRAB9AMAPT
SCHEMBL8798277 0.69 NPC1 (0.41) CNR2P2RX7HTTRAB9AKMT2A
SCHEMBL4516287 0.67 HCRTR1 (0.42) CNR2ALDH1A1RAB9AKMT2AMEN1
SCHEMBL7567740 0.67 KMT2A (0.42) P2RX7HTTRAB9AKMT2AMEN1
SCHEMBL8801188 0.67 CNR2 (0.38) CNR2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL8797975 0.65 EPHX2 (0.56) ALDH1A1P2RX7RAB9AKMT2AMEN1
SCHEMBL13789621 0.64 DHODH (0.55) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL7493834 0.64 KMT2A (0.65) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL7505880 0.63 SGMS2 (0.45) ALDH1A1P2RX7RAB9AMAPTKMT2A

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-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed