SCHEMBL25309603

SCHEMBL25309603

CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 13/20 0.52
▸ TNKS O95271 4/20 0.52
▸ TNKS2 Q9H2K2 3/20 0.52
▸ DTYMK P23919 2/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46

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
SCHEMBL30510784 0.84 PARP1 (0.48) PARP1TNKSTNKS2KMT2A
SCHEMBL25310523 0.81 POLB (0.53) PARP1TNKSKMT2A
Hydrochloric Acid SCHEMBL25310952 0.81 PARP1 (0.55) PARP1TNKSKMT2A
SCHEMBL25307211 0.80 PARP1 (0.56) PARP1TNKSTNKS2KMT2APDE3A
SCHEMBL25310638 0.79 ROCK2 (0.61) PARP1TNKSCHRM1KMT2A
SCHEMBL27884949 0.79 PARP1 (0.61) PARP1TNKSTNKS2
Hydrochloric Acid SCHEMBL25309956 0.78 PARP1 (0.48) PARP1TNKSKMT2A
SCHEMBL7731461 0.77 SIGMAR1 (0.62) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL25308938 0.76 TNKS (0.57) PARP1TNKSCHRM1KMT2A
SCHEMBL25310750 0.76 ROCK2 (0.50) PARP1TNKSKMT2A

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
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