SCHEMBL25543294

SCHEMBL25543294

Cc1cnc(N2CCN(OC(=O)c3ccccc3)CC2)n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.40
PARP2 Q9UGN5 6/20 0.40
KCNH2 Q12809 5/20 0.40
KMT2A Q03164 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRM5 P41594 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
P2RY12 Q9H244 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL17066447 0.75 KMT2A (0.55) KMT2ANPC1RAB9AMEN1CHRNB2
SCHEMBL26126783 0.74 PARP1 (0.39) PARP1PARP2KCNH2KMT2AMEN1
SCHEMBL8631458 0.73 HRH3 (0.50) TSHRALDH1A1HRH3
SCHEMBL2510973 0.70 KMT2A (0.50) KMT2ANPC1RAB9AMEN1CHRNB2
SCHEMBL29261428 0.69 KMT2A (0.49) KMT2ANPC1RAB9AMEN1CHRNB2
SCHEMBL27515414 0.69 ME3 (0.50) KMT2ANPC1RAB9ATSHRALDH1A1
SCHEMBL176857 0.69 F2 (0.45) KMT2AMEN1CHRNB2CHRNA5CHRNA7
SCHEMBL28495717 0.68 HPGD (0.53) KMT2ANPC1RAB9AMEN1CHRNB2
SCHEMBL1249246 0.68 HPGD (0.53) KMT2ANPC1RAB9AMEN1CHRNB2
SCHEMBL17066251 0.68 HRH3 (0.45) KCNH2NPC1TSHRHRH3

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-2023096915-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-06-01 WO disclosed