SCHEMBL10572858

SCHEMBL10572858

O=C1CCc2ccc(OCCCN3CCN(c4ccccc4F)CC3)cc2N1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 17/20 0.94
▸ DRD4 P21917 6/20 0.76
▸ DRD3 P35462 6/20 0.76
▸ MAOA P21397 3/20 0.70
▸ MAOB P27338 2/20 0.70
▸ HTR3E A5X5Y0 1/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ MLNR O43193 1/20 0.69
▸ HTR3B O95264 1/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ ESR1 P03372 1/20 0.69
▸ PGR P06401 1/20 0.69
▸ ADRB2 P07550 1/20 0.69
▸ CHRM2 P08172 1/20 0.69
▸ ABCB1 P08183 1/20 0.69
▸ ADRB1 P08588 1/20 0.69
▸ HTR1A P08908 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69
▸ GAA P10253 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
SCHEMBL23097745 0.93 DRD2 (0.82) DRD2DRD4DRD3MAOAMAOB
SCHEMBL10571409 0.89 DRD2 (0.94) DRD2DRD4DRD3MAOAMAOB
SCHEMBL2615543 0.88 DRD2 (0.83) DRD2DRD4DRD3MAOAHTR3E
SCHEMBL10570451 0.87 DRD2 (1.00) DRD2DRD4DRD3
SCHEMBL13532795 0.86 DRD2 (1.00) DRD2DRD4DRD3MAOAMAOB
SCHEMBL23097579 0.86 DRD2 (0.71) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10571607 0.86 DRD2 (0.94) DRD2DRD4DRD3MAOAMAOB
SCHEMBL10573201 0.86 DRD2 (0.95) DRD2DRD4DRD3
SCHEMBL3258529 0.85 DRD2 (0.81) DRD2DRD4DRD3MAOAHTR3E
Hydrochloric Acid SCHEMBL10572620 0.85 DRD2 (0.92) DRD2DRD4DRD3MAOAMAOB

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-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 — — US claimed
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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