SCHEMBL10837456

SCHEMBL10837456

O=C1CCc2cc(/C=C/CN3CCC(Cc4ccccc4)CC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.58
▸ MAOA P21397 4/20 0.52
▸ MAOB P27338 4/20 0.52
▸ GRIN1 Q05586 3/20 0.50
▸ OGT O15294 1/20 0.50
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL10837463 1.00 GRIN2B (0.58) GRIN2BMAOAMAOBGRIN1OGT
SCHEMBL4672506 0.90 GRIN2B (0.59) GRIN2BMAOAMAOBGRIN1OGT
SCHEMBL4672504 0.90 GRIN2B (0.59) GRIN2BMAOAMAOBGRIN1OGT
SCHEMBL10837487 0.86 MAOA (0.51) MAOAMAOBBCHEACHETBXAS1
SCHEMBL10837483 0.86 MAOA (0.51) MAOAMAOBBCHEACHETBXAS1
SCHEMBL10836311 0.86 KDM1A (0.44) GRIN2BMAOAMAOBTBXAS1PDE3B
SCHEMBL10836308 0.86 KDM1A (0.44) GRIN2BMAOAMAOBTBXAS1PDE3B
SCHEMBL10837555 0.82 DRD2 (0.50) MAOAMAOBTBXAS1PDE3BPDE3A
SCHEMBL10837548 0.82 DRD2 (0.50) MAOAMAOBTBXAS1PDE3BPDE3A
SCHEMBL4672241 0.81 GRIN2B (0.60) GRIN2BMAOBGRIN1

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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