SCHEMBL8268609

SCHEMBL8268609

O=C(O)CCC1(C(=O)NCCCc2ccc3c(c2)CCO3)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
CHRM5 P08912 5/20 0.40
CHRM1 P11229 5/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FABP4 P15090 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.37
MME P08473 2/20 0.37
CHRM4 P08173 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM2 P08172 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
KCNE1 P15382 1/20 0.36

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
SCHEMBL8271275 0.86 RAB9A (0.39) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL8269823 0.82 TDP1 (0.41) RAB9AMAPTMMEHTR2AOPRM1
SCHEMBL8270265 0.79 MME (0.67) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL9670805 0.78 FFAR4 (0.55) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL6337481 0.77 MME (0.68) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL6339711 0.77 MME (0.68) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL8269279 0.77 MME (0.57) RAB9ANPC1MMETSHR
SCHEMBL81136 0.75 FABP4 (0.58) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL8270495 0.74 MME (0.54) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL24826094 0.72 CTNNB1 (0.52) RAB9ANPC1POLBFFAR4FABP4

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
WO-2006027680-A1 3-(1-CARBAMOYLCYCLOHEXYL) PROPIONIC ACID DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE ENZYME PFIZER LIMITED (GB) 2006-03-16 WO disclosed