SCHEMBL4573250

SCHEMBL4573250

CC1CN(c2ccnc(OCc3ccccc3)c2)CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.54
ACACB O00763 7/20 0.51
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
FAAH O00519 2/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL8113167 0.88 GPR119 (0.54) CHRM4ACACBFAAHHDAC1
SCHEMBL4573033 0.88 GPR119 (0.54) CHRM4ACACBFAAHHDAC1
SCHEMBL4573864 0.84 CHRM4 (0.57) CHRM4NPC1FAAHCHRM2CHRM1
SCHEMBL22411529 0.82 RAB9A (0.53) CHRM4ACACBNPC1RAB9AFAAH
SCHEMBL21551278 0.79 GPR119 (0.59) CHRM4CHRM2CHRM1CHRM3
SCHEMBL4573042 0.77 SLC6A7 (0.45) CHRM4NPC1RAB9AFAAHKMT2A
SCHEMBL20000616 0.76 ELOVL1 (0.56) ACACBNPC1RAB9AKMT2ACYP2C9
SCHEMBL20139213 0.75 FAAH (0.54) CHRM4NPC1RAB9AFAAHKMT2A
SCHEMBL27606539 0.75 FAAH (0.54) CHRM4NPC1RAB9AFAAHKMT2A
SCHEMBL26637018 0.75 CTSB (0.37) CHRM4NPC1RAB9AKMT2ACHRM2

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed