SCHEMBL9313388

SCHEMBL9313388

COc1ccc(CN2CCC(Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ DRD4 P21917 3/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CXCR3 P49682 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ CCR2 P41597 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL7374128 0.87 LMNA (0.58) GAAROCK2CCR2ROCK1LTA4H
SCHEMBL7294948 0.85 PRKAB2 (0.56) PKMLTA4HACHECYP3A4CYP2C9
SCHEMBL9412142 0.79 DRD4 (0.61) PKMDRD4DRD2DRD3GAA
SCHEMBL7364603 0.79 CA12 (0.58) PKMDRD4DRD2DRD3LMNA
SCHEMBL11060430 0.78 NR3C1 (0.58) PKMDRD2GAAKMT2ALMNA
Hydrochloric Acid SCHEMBL11042554 0.77 NR3C1 (0.57) PKMDRD2GAAKMT2ALMNA
SCHEMBL15586883 0.76 PKM (0.47) PKMDRD4DRD2DRD3GAA
SCHEMBL7289534 0.76 KMT2A (0.70) ROCK2CCR2ROCK1LTA4HKMT2A
SCHEMBL1716567 0.74 ROCK2 (0.79) ROCK2CCR2ROCK1
SCHEMBL15545214 0.73 ACHE (0.49) PKMDRD4DRD2DRD3GAA

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-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 — — US disclosed
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