SCHEMBL30005676

SCHEMBL30005676

CC1CN(c2cc(Cl)cc(Cl)c2)CCN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
SLC6A7 Q99884 2/20 0.41
FAAH O00519 2/20 0.41
CHRM4 P08173 3/20 0.41
CHRM2 P08172 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 2/20 0.41
CHRM5 P08912 1/20 0.41
SMO Q99835 1/20 0.40
NPC1 O15118 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39

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
SCHEMBL23777734 0.85 NOTUM (0.57) NOTUMFAAHNPC1
SCHEMBL22054781 0.82 SUV39H2 (0.45) NOTUMSLC6A7CHRM4CHRM2CHRM1
SCHEMBL20139249 0.82 CHRM4 (0.54) CHRM4CHRM2CHRM1CHRM3
SCHEMBL20139213 0.81 FAAH (0.54) NOTUMFAAHCHRM4SMONPC1
SCHEMBL27606539 0.81 FAAH (0.54) NOTUMFAAHCHRM4SMONPC1
SCHEMBL30005266 0.80 SUV39H2 (0.51) NOTUMSUV39H2
SCHEMBL4573042 0.80 SLC6A7 (0.45) SLC6A7FAAHCHRM4CHRM1NPC1
SCHEMBL31111518 0.79 CHRM2 (0.57) NOTUMFAAHCHRM4CHRM2CHRM1
SCHEMBL28604592 0.79 TRPV1 (0.40) SLC6A7CHRM2CHRM1SMO
SCHEMBL28604594 0.79 TRPV1 (0.40) SLC6A7CHRM2CHRM1SMO

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed