SCHEMBL31285839

SCHEMBL31285839

O=C(Cc1ccc2ncccc2c1)N1CCC(n2c(=O)[nH]c3ccc(Cl)cc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLD2 O14939 1/20 0.51
▸ PLD1 Q13393 1/20 0.51
▸ CALCRL Q16602 10/20 0.50
▸ TNKS O95271 3/20 0.49
▸ PARP2 Q9UGN5 3/20 0.49
▸ PARP1 P09874 2/20 0.49
▸ OPRM1 P35372 3/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ AVPR1A P37288 1/20 0.44

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
SCHEMBL22588141 1.00 PLD2 (0.51) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL22605633 0.93 TNKS (0.56) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL29518452 0.90 PLD2 (0.62) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL22605698 0.90 PLD2 (0.62) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL24368197 0.85 CALCRL (0.53) PLD2PLD1CALCRLOPRM1CCR3
SCHEMBL22605756 0.85 CCR3 (0.48) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL29518303 0.85 CALCRL (0.53) PLD2PLD1CALCRLOPRM1CCR3
SCHEMBL31285905 0.81 PLD2 (0.47) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL22587878 0.81 PLD2 (0.47) PLD2PLD1CALCRLTNKSPARP2
SCHEMBL22605642 0.80 PLD2 (0.51) PLD2PLD1CALCRLTNKSPARP2

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
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 — — CN disclosed
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