SCHEMBL9537612

SCHEMBL9537612

CCOC(=O)N1CCCC(NCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
KDM4E B2RXH2 2/20 0.61
CHRM2 P08172 3/20 0.60
CHRM5 P08912 3/20 0.60
CHRM3 P20309 2/20 0.60
ALDH1A1 P00352 2/20 0.59
FABP6 P51161 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
CCR8 P51685 1/20 0.54
NOS2 P35228 1/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL9699514 0.95 KMT2A (0.70) KMT2AMEN1KDM4ECHRM2CHRM5
SCHEMBL20267975 0.86 STS (0.55) KDM4EALDH1A1FABP6L3MBTL1
SCHEMBL4171022 0.86 STS (0.55) KDM4EALDH1A1FABP6L3MBTL1
SCHEMBL4080791 0.84 FABP6 (0.60) KMT2AMEN1FABP6
SCHEMBL30174973 0.84 KMT2A (0.57) KMT2AMEN1KDM4ECHRM2CHRM5
SCHEMBL19016262 0.83 KDM4E (0.61) KMT2AMEN1KDM4ECHRM2CHRM5
SCHEMBL15587415 0.83 ACHE (0.59) KMT2AMEN1KDM4ECHRM2CHRM5
SCHEMBL22634120 0.82 KDM4E (0.64) KMT2AMEN1KDM4ECHRM2CHRM5
SCHEMBL5368555 0.82 KDM4E (0.70) KMT2AMEN1KDM4ECHRM2CHRM5
SCHEMBL15198664 0.81 PRSS1 (0.48) KMT2AMEN1KDM4ECHRM2CHRM5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed