SCHEMBL25696643

SCHEMBL25696643

Cc1ccc(C(=O)N[C@H]2CC[C@@H](C#N)CC2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PDE4B Q07343 2/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ CD38 P28907 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL25696647 1.00 PDE7A (0.43) PDE7ACHRM4DPP4SCN9AABL1
SCHEMBL25698486 0.89 CHRM4 (0.49) CHRM4DPP4ABL1ALDH1A1CNR1
SCHEMBL25690688 0.87 PDE7A (0.42) PDE7ACHRM4DPP4SCN9APRKAA2
SCHEMBL25690439 0.87 PDE7A (0.42) PDE7ACHRM4DPP4SCN9APRKAA2
SCHEMBL27398490 0.76 BRD4 (0.42) CHRM4DPP4SCN9AABL1ALDH1A1
SCHEMBL25690427 0.75 BRD4 (0.37) PDE7ADPP4SCN9APRKAA2PARP1
SCHEMBL25690611 0.75 BRD4 (0.37) PDE7ADPP4SCN9APRKAA2PARP1
SCHEMBL25696639 0.75 SCN9A (0.48) CHRM4SCN9AABL1NPC1RAB9A
SCHEMBL25236780 0.75 ALDH1A1 (0.46) CHRM4DPP4ALDH1A1CNR1HSD11B1
SCHEMBL25690421 0.75 DPP4 (0.45) CHRM4DPP4ALDH1A1CNR1HSD11B1

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-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 — — WO disclosed
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