SCHEMBL25310063

SCHEMBL25310063

O=C1CN(c2ncc(Cl)cn2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
PKM P14618 2/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CCNT1 O60563 1/20 0.36

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
SCHEMBL31373403 0.83 AOC3 (0.44) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL19117494 0.83 AOC3 (0.49) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL16053043 0.83 AOC3 (0.44) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL20953955 0.82 KDM4E (0.55) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL26924381 0.81 AOC3 (0.42) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL16048627 0.80 POLB (0.53) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL15415088 0.80 AOC3 (0.42) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL19105530 0.80 OPRM1 (0.43) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL25075257 0.80 AOC3 (0.44) AOC3OPRM1OPRL1PRKCHPRKCE
SCHEMBL20456745 0.80 AOC3 (0.42) AOC3OPRM1OPRL1PRKCHPRKCE

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-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 WO disclosed