SCHEMBL30687809

SCHEMBL30687809

CCN(CC)C(=O)c1ccc(N2CCN(Cc3ccccc3-c3cccc(O)c3)CC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 9/20 0.41
▸ ABCB1 P08183 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL26680679 1.00 HTR7 (0.41) HTR7ABCB1OPRM1OPRD1OPRK1
SCHEMBL26682817 0.90 OPRM1 (0.36) OPRM1OPRD1OPRK1PARP1PARP2
SCHEMBL26681795 0.89 HTR7 (0.37) HTR7PARP1PARP2FAAHMGLL
SCHEMBL26681000 0.88 HTR7 (0.47) HTR7PARP1FAAHDRD2DRD4
SCHEMBL26681567 0.87 PARP1 (0.39) OPRM1OPRD1OPRK1PARP1PARP2
SCHEMBL30687770 0.87 PARP1 (0.39) OPRM1OPRD1OPRK1PARP1PARP2
SCHEMBL26681733 0.87 HTR7 (0.46) HTR7ABCB1FAAHMGLLDRD2
SCHEMBL26681207 0.86 ME2 (0.40) ABCB1
SCHEMBL30687895 0.86 ME2 (0.40) ABCB1
SCHEMBL26682777 0.85 PARP1 (0.41) OPRM1OPRD1OPRK1PARP1PARP2

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
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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