SCHEMBL24913833

SCHEMBL24913833

CN(c1cccc2c1CNCC2)C1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.41
PRCP P42785 1/20 0.39
TIPARP Q7Z3E1 1/20 0.38
CD44 P16070 2/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
Hydrochloric Acid SCHEMBL29168701 0.99 PNMT (0.40) PNMTPRCPTIPARPCD44MAOB
SCHEMBL24914009 0.73 PNMT (0.40) PNMTPRCPTIPARPCD44MAOB
SCHEMBL29168638 0.72 TIPARP (0.40) TIPARPKDM4EMEN1KMT2A
SCHEMBL24914060 0.69 PNMT (0.43) PNMTPRCPTIPARPCD44MAOB
SCHEMBL21744416 0.69 CXCR4 (0.47) PNMTTIPARPCD44MAOB
SCHEMBL24913968 0.69 PNMT (0.43) PNMTPRCPTIPARPCD44MAOB
SCHEMBL24913989 0.69 PNMT (0.43) PNMTPRCPTIPARPCD44MAOB
Hydrochloric Acid SCHEMBL31014026 0.68 PNMT (0.42) PNMTPRCPTIPARPCD44MAOB
Hydrochloric Acid SCHEMBL31013890 0.68 PNMT (0.42) PNMTPRCPCD44MAOB
Hydrochloric Acid SCHEMBL29168613 0.68 PNMT (0.42) PNMTPRCPTIPARPCD44MAOB

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-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed