SCHEMBL9237144

SCHEMBL9237144

Nc1ccc(CCN2CCC(Oc3ccc(N)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 4/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL9234182 0.91 SIGMAR1 (0.46) LMNASIGMAR1MEN1KMT2APOLB
SCHEMBL15652904 0.83 HRH3 (0.50) LMNAPOLBHRH3CARM1PRMT6
SCHEMBL19852051 0.83 CARM1 (0.64) LMNASIGMAR1MEN1KMT2APOLB
SCHEMBL9234885 0.82 HRH3 (0.47) SIGMAR1HRH3L3MBTL1
SCHEMBL9236311 0.81 HRH3 (0.49) SIGMAR1HRH3L3MBTL1ALDH1A1
SCHEMBL9471541 0.81 LTA4H (0.63) SIGMAR1HRH3CARM1PRMT6
SCHEMBL9234222 0.80 KCNJ1 (0.67) SIGMAR1HRH3MAOA
SCHEMBL4238055 0.80 HRH3 (0.58) SIGMAR1HRH3CARM1PRMT6MAOA
SCHEMBL2761933 0.79 SPHK1 (0.63) SIGMAR1HRH3
SCHEMBL12803875 0.79 HRH3 (0.69) MEN1KMT2AHRH3CARM1PRMT6

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-0649838-A1 N-phenylalkyl/phenoxyalkyl-azetidine/pyrrozidinel piperidine/hexahydroazepine derivatives as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-04-26 EP disclosed