SCHEMBL9654084

SCHEMBL9654084

CCN(C(=O)OCC(C)C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.59
CCR5 P51681 3/20 0.57
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
CHRM2 P08172 2/20 0.54
CHRM3 P20309 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
CHRM4 P08173 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9652487 0.92 OPRM1 (0.55) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9654034 0.88 OPRM1 (0.67) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9654272 0.87 SIGMAR1 (0.57) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9651081 0.86 OPRM1 (0.61) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9653715 0.86 OPRM1 (0.61) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9653948 0.85 OPRM1 (0.61) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9653759 0.84 OPRM1 (0.65) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9653593 0.84 OPRM1 (0.59) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9654111 0.83 OPRM1 (0.56) OPRM1CCR5BCHEACHECHRM2
SCHEMBL9651056 0.81 OPRM1 (0.54) OPRM1CCR5BCHEACHECHRM2

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
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed