SCHEMBL10836576

SCHEMBL10836576

O=C1CCc2cc(C(O)CCCN3CCN(c4ccccc4Cl)CC3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.59
▸ HTR1A P08908 8/20 0.59
▸ HTR2A P28223 6/20 0.59
▸ DRD4 P21917 4/20 0.52
▸ DRD3 P35462 4/20 0.52
▸ KCNH2 Q12809 3/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD5 P21918 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ HTR3E A5X5Y0 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MLNR O43193 1/20 0.52
▸ HTR3B O95264 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ ABCB1 P08183 1/20 0.52

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
SCHEMBL10837291 0.87 DRD2 (0.57) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10837489 0.86 DRD2 (0.61) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10837913 0.85 DRD2 (0.53) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10837721 0.82 HTR1A (0.65) DRD2HTR1ADRD4DRD3
SCHEMBL10836282 0.82 ALDH1A1 (0.56) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10835827 0.81 DRD2 (0.51) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10837085 0.81 DRD2 (0.69) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL10837209 0.81 DRD2 (0.57) DRD2HTR1AHTR2AKCNH2MAPT
SCHEMBL23097785 0.80 DRD2 (0.82) DRD2HTR1AHTR2ADRD4DRD3
Hydrochloric Acid SCHEMBL10838709 0.80 HTR1A (0.69) DRD2HTR1AHTR2ADRD4DRD3

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
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 — — US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 — — US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 — — US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 — — US disclosed
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