SCHEMBL1382289

SCHEMBL1382289

CC(=O)NCCc1ccc2c(c1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.53
MTNR1B P49286 5/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
PTGS1 P23219 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
ACACB O00763 1/20 0.50
F13A1 P00488 1/20 0.49
HTT P42858 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL20563412 0.87 NPC1 (0.56) RAB9ALMNAALDH1A1MAPTPOLB
SCHEMBL15384437 0.84 LMNA (0.64) MTNR1ARAB9ALMNAKDM4EHSD17B10
SCHEMBL30627588 0.82 RAB9A (0.50) RAB9ALMNAALDH1A1MAPTPOLB
SCHEMBL1405119 0.81 RAB9A (0.50) RAB9ALMNAKDM4EMAPTPOLB
SCHEMBL9426372 0.81 POLB (0.46) RAB9ALMNAKDM4EHSD17B10ALDH1A1
SCHEMBL20564767 0.80 NPC1 (0.49) RAB9ALMNAALDH1A1MAPTPOLB
SCHEMBL6321282 0.79 LMNA (0.55) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL24514159 0.79 KMT2A (0.57) RAB9AALDH1A1MAPTPOLBNPC1
SCHEMBL11744707 0.78 HSD17B10 (0.70) RAB9ALMNAKDM4EHSD17B10ALDH1A1
SCHEMBL1390658 0.78 SMN1; SMN2 (0.47) RAB9ALMNAKDM4EHSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739625-B2 2011-08-03 JP claimed
EP-1206467-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2002-05-22 EP disclosed
WO-2001014371-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2001-03-01 WO disclosed