SCHEMBL10836308

SCHEMBL10836308

O=C1CCc2cc(/C=C/CN3CCC(c4ccccc4)CC3)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ TBXAS1 P24557 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ PARP1 P09874 2/20 0.43
▸ GRIN2B Q13224 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CCR3 P51677 1/20 0.39

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
SCHEMBL10836311 1.00 KDM1A (0.44) KDM1ATBXAS1PDE3BPDE3APARP1
SCHEMBL10838721 0.92 TRPV1 (0.45) PARP1HTR1ADRD2HTR2AMCHR1
SCHEMBL10838724 0.92 TRPV1 (0.45) PARP1HTR1ADRD2HTR2AMCHR1
SCHEMBL10837463 0.86 GRIN2B (0.58) TBXAS1PDE3BPDE3AGRIN2BMAOA
SCHEMBL10837456 0.86 GRIN2B (0.58) TBXAS1PDE3BPDE3AGRIN2BMAOA
SCHEMBL10837483 0.84 MAOA (0.51) TBXAS1PDE3BPDE3ADRD2MAOA
SCHEMBL10837487 0.84 MAOA (0.51) TBXAS1PDE3BPDE3ADRD2MAOA
SCHEMBL10837555 0.84 DRD2 (0.50) TBXAS1PDE3BPDE3AHTR1ADRD2
SCHEMBL10837548 0.84 DRD2 (0.50) TBXAS1PDE3BPDE3AHTR1ADRD2
SCHEMBL10836599 0.79 DRD2 (0.55) TBXAS1PDE3BPDE3AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 — — US claimed
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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