SCHEMBL27909350

SCHEMBL27909350

[CH]1N(Cc2cccc3[nH]ccc23)c2ccccc2N1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC6A4 P31645 7/20 0.40
▸ DAO P14920 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36

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
SCHEMBL27892283 0.78 SLC6A2 (0.41) OPRM1ADRB1SLC6A4SLC6A2SLC6A3
SCHEMBL9986948 0.77 OPRM1 (0.43) OPRM1OPRK1OPRL1ADRB1HTR6
SCHEMBL27909415 0.75 MAPT (0.43) OPRM1OPRK1OPRL1GAAMAPT
SCHEMBL12069837 0.71 SLC6A4 (0.38) OPRM1OPRK1OPRL1ADRB1HTR6
SCHEMBL23609411 0.69 HTR6 (0.56) OPRM1OPRK1OPRL1ADRB1HTR6
SCHEMBL30099664 0.69 HTR6 (0.56) OPRM1OPRK1OPRL1ADRB1HTR6
SCHEMBL27892286 0.68 OPRM1 (0.41) OPRM1MAPTSLC6A4SLC6A2SLC6A3
SCHEMBL10119880 0.67 SLC6A4 (0.49) OPRM1OPRK1ADRB1HTR6SLC6A4
SCHEMBL27735267 0.67 DRD2 (0.38) OPRM1OPRK1HTR6MAPTSLC6A4
SCHEMBL27836228 0.64 DAO (0.46) OPRM1OPRK1OPRL1ADRB1HTR6

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-102947275-A Piperidinyl-substituted 1, 3-dihydro-benzimidazol-2-ylideneamine derivatives NOVARTIS AG 2013-02-27 — — CN disclosed
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