SCHEMBL9872901

SCHEMBL9872901

COc1cc(NC(=O)OCc2ccccc2)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
DRD2 P14416 3/20 0.49
DRD4 P21917 7/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD3 P35462 3/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL9872897 1.00 POLB (0.49) POLBDRD2DRD4SIGMAR1DRD3
SCHEMBL9872863 0.82 DRD2 (0.67) DRD2DRD4DRD3KCNH2
SCHEMBL9872858 0.82 DRD2 (0.67) DRD2DRD4DRD3KCNH2
SCHEMBL9872943 0.81 POLB (0.71) POLBDRD2DRD4DRD3
SCHEMBL9872909 0.79 DRD2 (0.46) DRD2DRD4DRD3KCNH2
SCHEMBL8711005 0.78 POLB (0.60) POLBDRD4DRD3KCNH2
SCHEMBL8708189 0.77 POLB (0.57) POLBDRD2DRD4DRD3
SCHEMBL11092131 0.72 DRD4 (0.51) DRD2DRD4DRD3
SCHEMBL3028929 0.72 NPC1 (0.54) POLB
SCHEMBL11089665 0.71 DRD4 (0.52) POLBDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed