SCHEMBL6690111

SCHEMBL6690111

[CH2]CCCNCC(O)COc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
OPRM1 P35372 1/20 0.65
OPRD1 P41143 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.61
ADRB1 P08588 6/20 0.58
ADRB3 P13945 6/20 0.58
ADRB2 P07550 2/20 0.58
CYP1A2 P05177 1/20 0.58
ATM Q13315 1/20 0.55
CYP2D6 P10635 2/20 0.55
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ABCB1 P08183 1/20 0.50

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
SCHEMBL7367855 0.95 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7364771 0.94 MEN1 (0.62) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367538 0.94 MEN1 (0.62) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL20553331 0.86 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL21775649 0.86 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL21775559 0.86 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7327969 0.84 MEN1 (0.68) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7364366 0.84 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367871 0.84 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL11606524 0.84 MEN1 (0.71) MEN1OPRM1OPRD1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096217-A1 USE OF N-TYPE CALCIUM CHANNEL INHIBITORS IN TREATING DEMYELINATING DISEASES EISAI LONDON RESEARCH LABORATORIES LIMITED (GB) 2004-11-11 WO claimed
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed