SCHEMBL9035567

SCHEMBL9035567

O=C(O)C12C[C@H](c3ccccc31)c1ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1E Q15878 1/20 0.36
CACNA2D4 Q7Z3S7 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
SCHEMBL9035580 1.00 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL8601899 1.00 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL8602566 1.00 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL8601315 1.00 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL8601902 1.00 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL8602565 1.00 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL8877685 0.93 AKR1B1 (0.38) DRD1HTTNPC1RAB9AMEN1
SCHEMBL9035761 0.89 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL9035755 0.89 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G
SCHEMBL9035768 0.89 DRD1 (0.38) DRD1HTR2ACACNB4CACNA1ACACNA1G

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532178-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5455246-A Treating neuropsychiatric disorders IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-10-03 US disclosed
US-5266570-A Neuropsychiatric disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-30 US disclosed
EP-0532178-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP disclosed