SCHEMBL25310671

SCHEMBL25310671

N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCCc2n[nH]c(=O)c3ccccc23)nc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.49
▸ PARP1 P09874 16/20 0.45
▸ PARP2 Q9UGN5 6/20 0.45
▸ SPR P35270 1/20 0.43
▸ TNK1 Q13470 1/20 0.40
▸ TIPARP Q7Z3E1 1/20 0.39
▸ TNKS O95271 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
SCHEMBL30510764 1.00 CHRM1 (0.49) CHRM1PARP1PARP2SPRTNK1
SCHEMBL25310262 0.90 PARP1 (0.44) CHRM1PARP1PARP2TNKS
SCHEMBL30510773 0.87 HTR1A (0.43) CHRM1PARP1TNKS
SCHEMBL25307141 0.87 HTR1A (0.43) CHRM1PARP1TNKS
SCHEMBL25309923 0.85 PARP1 (0.41) CHRM1PARP1PARP2TIPARPTNKS
SCHEMBL30510762 0.85 PARP1 (0.41) CHRM1PARP1PARP2TIPARPTNKS
SCHEMBL25309578 0.85 SPR (0.43) PARP1PARP2SPRTNKS
SCHEMBL25310532 0.84 PARP1 (0.62) PARP1PARP2TIPARPTNKS
SCHEMBL25308646 0.80 PARP1 (0.42) PARP1PARP2TIPARPTNKS
SCHEMBL25307526 0.80 PARP1 (0.42) PARP1PARP2TIPARPTNKS

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 2 patents. 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 claimed
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
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