SCHEMBL25309608

SCHEMBL25309608

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CC2CC1CN2c1ncc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.44
▸ CHRM1 P11229 1/20 0.42
▸ TIPARP Q7Z3E1 7/20 0.41
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AR P10275 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL25309968 0.93 PARP1 (0.44) PARP1TIPARPMAPTSMN1; SMN2AR
SCHEMBL25309586 0.85 PARP1 (0.46) PARP1TIPARPMAPTSMN1; SMN2AR
SCHEMBL25309524 0.85 PARP1 (0.48) PARP1TIPARPMAPTSMN1; SMN2PKM
SCHEMBL25309989 0.82 PARP1 (0.46) PARP1TIPARPMAPTSMN1; SMN2AR
SCHEMBL25309986 0.82 PARP1 (0.48) PARP1TIPARPMAPTSMN1; SMN2PKM
SCHEMBL25309030 0.80 TIPARP (0.63) PARP1TIPARP
SCHEMBL25309193 0.78 PARP1 (0.51) PARP1TIPARPMAPT
SCHEMBL25309796 0.77 TIPARP (0.67) PARP1TIPARP
SCHEMBL25309636 0.77 TIPARP (0.59) PARP1TIPARP
SCHEMBL25310465 0.77 TIPARP (0.46) PARP1TIPARPMAPTSMN1; SMN2PARP2

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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