SCHEMBL25307141

SCHEMBL25307141

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1C2CCC1CN(c1ccc(Cl)cn1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PARP1 P09874 6/20 0.41
▸ TNKS O95271 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CHRM1 P11229 1/20 0.37

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
SCHEMBL30510773 1.00 HTR1A (0.43) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL25308646 0.89 PARP1 (0.42) PARP1TNKSLMNATDP1HTT
SCHEMBL30510764 0.87 CHRM1 (0.49) PARP1TNKSCHRM1
SCHEMBL25309923 0.87 PARP1 (0.41) PARP1TNKSLMNATDP1CHRM1
SCHEMBL30510762 0.87 PARP1 (0.41) PARP1TNKSLMNATDP1CHRM1
SCHEMBL25309578 0.87 SPR (0.43) PARP1TNKSLMNA
SCHEMBL25310671 0.87 CHRM1 (0.49) PARP1TNKSCHRM1
SCHEMBL25263299 0.84 TNKS (0.53) PARP1TNKSLMNACHRM1
SCHEMBL25307526 0.82 PARP1 (0.42) PARP1TNKSLMNA
SCHEMBL25311716 0.80 PARP1 (0.42) PARP1TNKSLMNA

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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