SCHEMBL22813637

SCHEMBL22813637

COc1ccccc1CCC(=O)N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
SIGMAR1 Q99720 2/20 0.60
HRH3 Q9Y5N1 1/20 0.57
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.52
KCNH2 Q12809 1/20 0.51

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
SCHEMBL8328272 0.99 KMT2A (0.67) KMT2AMEN1SIGMAR1HRH3NPC1
SCHEMBL8328048 0.87 KMT2A (0.68) KMT2AMEN1SIGMAR1CHRM2CHRM4
SCHEMBL2830939 0.87 KMT2A (0.58) KMT2AMEN1SIGMAR1HRH3TDP1
SCHEMBL14218028 0.86 KMT2A (0.76) KMT2AMEN1SIGMAR1CHRM2CHRM4
SCHEMBL5679866 0.85 KMT2A (0.74) KMT2AMEN1SIGMAR1KDM4EALOX15
SCHEMBL4378376 0.85 KMT2A (0.63) KMT2AMEN1SIGMAR1CHRM2CHRM4
SCHEMBL4375726 0.84 KMT2A (0.65) KMT2AMEN1SIGMAR1CHRM2CHRM4
Hydrochloric Acid SCHEMBL4375454 0.84 KMT2A (0.61) KMT2AMEN1SIGMAR1HRH3CHRM2
SCHEMBL2236754 0.84 KMT2A (0.72) KMT2AMEN1SIGMAR1KDM4EALOX15
SCHEMBL4377435 0.82 KMT2A (0.61) KMT2AMEN1SIGMAR1NPC1CHRM2

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-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed