SCHEMBL1382287

SCHEMBL1382287

NC(=O)CCCc1ccc2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
CHRM5 P08912 5/20 0.47
CHRM1 P11229 5/20 0.47
CHRM4 P08173 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM2 P08172 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
KCNE1 P15382 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 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
SCHEMBL9670805 0.90 FFAR4 (0.55) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL27605521 0.84 RAB9A (0.51) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL5717704 0.84 LMNA (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL81136 0.83 FABP4 (0.58) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL80222 0.83 PRKCI (0.46) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL2777357 0.83 RAB9A (0.52) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL5791799 0.83 PRKCI (0.46) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL18007683 0.82 RAB9A (0.49) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL1405119 0.82 RAB9A (0.50) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL14015076 0.80 RAB9A (0.44) RAB9ANPC1POLBCHRM5CHRM1

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