SCHEMBL17656795

SCHEMBL17656795

O=C(N[C@H]1CCCC[C@@H]1NO)c1cc(Cc2ccc(Cl)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.52
SSTR3 P32745 3/20 0.50
CHRM1 P11229 6/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2223726 0.90 CHRM1 (0.54) ADAM17CHRM1
SCHEMBL6892258 0.87 GAA (0.56) GAAKMT2A
SCHEMBL17656772 0.83 ADAM17 (0.47) ADAM17SSTR3CHRM1MMP3MMP7
SCHEMBL2224663 0.81 CHRM1 (0.69) ADAM17CHRM1MMP3MMP7MMP10
SCHEMBL6892534 0.81 CHRM1 (0.69) ADAM17CHRM1MMP3MMP7MMP10
SCHEMBL2224665 0.81 CHRM1 (0.69) ADAM17CHRM1MMP3MMP7MMP10
SCHEMBL2221937 0.79 CHRM1 (0.70) CHRM1
SCHEMBL12803258 0.79 CHRM1 (0.70) CHRM1
SCHEMBL6891025 0.79 CHRM1 (0.70) CHRM1
SCHEMBL12802941 0.79 CHRM1 (0.70) CHRM1

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
EP-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed