SCHEMBL13182939

SCHEMBL13182939

C/C=C/C(=O)N1CCC(C(=O)NCc2ccccc2CC)(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 6/20 0.44
▸ OPRL1 P41146 4/20 0.44
▸ TET3 O43151 3/20 0.44
▸ FBXL19 Q6PCT2 3/20 0.44
▸ CXXC5 Q7LFL8 3/20 0.44
▸ KDM2B Q8NHM5 3/20 0.44
▸ CXXC4 Q9H2H0 3/20 0.44
▸ KDM2A Q9Y2K7 3/20 0.44
▸ TET1 Q8NFU7 2/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL2468360 0.89 GRIN2B (0.48) ALDH1A1KMT2AOPRL1TSHRCHRM5
SCHEMBL2468358 0.89 GRIN2B (0.48) ALDH1A1KMT2AOPRL1TSHRCHRM5
SCHEMBL2467182 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AOPRL1TET3FBXL19
SCHEMBL2467179 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AOPRL1TET3FBXL19
SCHEMBL2468363 0.82 CHRM5 (0.58) ALDH1A1KMT2AOPRL1TET3FBXL19
SCHEMBL2468362 0.82 CHRM5 (0.58) ALDH1A1KMT2AOPRL1TET3FBXL19
SCHEMBL2472772 0.81 KMT2A (0.48) ALDH1A1KMT2ATET3FBXL19CXXC5
SCHEMBL2472775 0.81 KMT2A (0.48) ALDH1A1KMT2ATET3FBXL19CXXC5
SCHEMBL2473530 0.80 CHRM5 (0.53) ALDH1A1KMT2AOPRL1TET3FBXL19
SCHEMBL13182920 0.80 CHRM5 (0.53) ALDH1A1KMT2AOPRL1TET3FBXL19

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-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 — — EP disclosed
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