SCHEMBL25869368

SCHEMBL25869368

OCC1(CNCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.42
DPP7 Q9UHL4 4/20 0.42
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.42
CHRM2 P08172 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MPO P05164 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
SCHEMBL8881882 0.79 POLB (0.49) MEN1KMT2AGAAMAPTOPRM1
SCHEMBL19585998 0.77 MEN1 (0.50) MEN1KMT2ATDP1MAOADPP7
SCHEMBL4744047 0.76 MAOA (0.66) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL17065387 0.74 MEN1 (0.47) MEN1KMT2ATDP1MAOADPP7
SCHEMBL2808245 0.74 GAA (0.58) MEN1KMT2AMAOAGAAMAPT
SCHEMBL6378630 0.74 ALDH1A1 (0.52) KMT2AGAAMAPT
SCHEMBL2019716 0.73 MEN1 (0.50) MEN1KMT2ATDP1MAOADPP7
SCHEMBL7918088 0.73 MAOA (0.55) MEN1KMT2ATDP1MAOADPP7
SCHEMBL7277140 0.73 MEN1 (0.45) MEN1KMT2ATDP1MAOADPP7
Hydrochloric Acid SCHEMBL6378763 0.73 ALDH1A1 (0.51) KMT2AGAAMAPT

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
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed