SCHEMBL10574132

SCHEMBL10574132

COc1ccccc1N1CCCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 19/20 0.95
▸ DRD3 P35462 10/20 0.93
▸ DRD4 P21917 9/20 0.93
▸ HTR1A P08908 1/20 0.69
▸ DRD1 P21728 1/20 0.69
▸ DRD5 P21918 1/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ HTR2C P28335 1/20 0.69
▸ HTR2B P41595 1/20 0.69

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
SCHEMBL251472 0.97 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL10570451 0.96 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL252295 0.94 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL14974690 0.93 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL11333597 0.90 DRD2 (0.88) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL250675 0.90 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL10573201 0.88 DRD2 (0.95) DRD2DRD3DRD4
SCHEMBL252031 0.88 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8078 0.86 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL10569233 0.85 DRD2 (0.87) DRD2DRD3DRD4HTR1ADRD1

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
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