SCHEMBL10658879

SCHEMBL10658879

CCN(CC)CCCc1cccc([C]=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.53
▸ OPRM1 P35372 3/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ DRD1 P21728 2/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ BCHE P06276 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FDPS P14324 1/20 0.41

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
SCHEMBL3032722 0.82 XIAP (0.46) —
SCHEMBL7292047 0.80 LPL (0.51) —
SCHEMBL6406759 0.80 CYP1A2 (0.45) BCHEKDM4ECYP1A2CYP2D6ACHE
SCHEMBL5147568 0.79 LPL (0.53) —
SCHEMBL4083028 0.79 LPL (0.53) —
SCHEMBL910177 0.78 DRD2 (0.40) DRD3OPRM1DRD1MEN1KMT2A
SCHEMBL6405789 0.76 TSHR (0.48) DRD3OPRM1DRD1HTR1ABCHE
SCHEMBL10658892 0.75 OPRM1 (0.53) DRD3OPRM1KCNH2DRD1CHRM2
SCHEMBL10490694 0.75 HTR2B (0.35) MEN1KMT2A
SCHEMBL27616842 0.74 TDP1 (0.46) DRD3KCNH2DRD1MEN1CYP1A2

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
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 — — US disclosed
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