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SCHEMBL10575372

SCHEMBL10575372

COc1cc(C(=O)OC(COc2ccc3c(c2)NC(=O)CC3)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 18/20 0.53
▸ DRD3 P35462 12/20 0.53
▸ DRD4 P21917 10/20 0.53
▸ KCNH2 Q12809 1/20 0.47
▸ HTR7 P34969 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
SCHEMBL10571472 0.92 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL10568253 0.86 MAPT (0.42) DRD2DRD3DRD4HTR7
SCHEMBL10572054 0.86 SCN1A (0.49) DRD2DRD3DRD4KCNH2
SCHEMBL10666646 0.85 HTR7 (0.44) DRD2DRD3DRD4HTR7
SCHEMBL10570061 0.83 HTR7 (0.44) DRD2DRD3DRD4HTR7
SCHEMBL10573779 0.81 DRD2 (0.67) DRD2DRD3DRD4
SCHEMBL10570903 0.79 KCNH2 (0.72) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL10571106 0.79 DRD2 (0.68) DRD2DRD3DRD4KCNH2
Hydrochloric Acid SCHEMBL10568011 0.78 KCNH2 (0.70) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL10570410 0.77 DRD2 (0.66) DRD2DRD3DRD4KCNH2

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
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 — — US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 — — US disclosed