SCHEMBL11094129

SCHEMBL11094129

C=C(C)n1c(=O)n(CCC(C)=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ATM Q13315 1/20 0.58
TACR1 P25103 3/20 0.44
OPRM1 P35372 3/20 0.44
CMA1 P23946 2/20 0.41
APEX1 P27695 2/20 0.41
GAA P10253 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2313704 0.86 MEN1 (0.53) MEN1KMT2AATMTACR1OPRM1
SCHEMBL1404741 0.84 MEN1 (0.54) MEN1KMT2AATMTACR1OPRM1
SCHEMBL2804975 0.84 ALDH1A1 (0.55) MEN1KMT2AATMTACR1OPRM1
SCHEMBL1185879 0.83 MEN1 (0.63) MEN1KMT2AATMTACR1OPRM1
SCHEMBL3724959 0.83 MEN1 (0.59) MEN1KMT2AATMTACR1OPRM1
SCHEMBL3823789 0.83 KMT2A (0.51) MEN1KMT2AATML3MBTL1
SCHEMBL14664244 0.82 MEN1 (0.52) MEN1KMT2AATMTACR1OPRM1
SCHEMBL14021860 0.81 MEN1 (0.51) MEN1KMT2AATMTACR1OPRM1
SCHEMBL507642 0.81 MEN1 (0.60) MEN1KMT2AATMTACR1OPRM1
SCHEMBL508219 0.81 MEN1 (0.57) MEN1KMT2AATMTACR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037713-B1 NOVEL 1,3-DIHYDRO-1-((1-PIPERIDINYL)ALKYL)-2H-BENZIMIDAZOL-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-02-08 EP disclosed
EP-0005318-B1 N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1982-01-06 EP disclosed
EP-0037713-A1 Novel 1,3-dihydro-1-((1-piperidinyl)alkyl)-2H-benzimidazol-2-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-14 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 US disclosed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US disclosed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP disclosed