SCHEMBL10463789

SCHEMBL10463789

O=C1CCc2cc(C(=O)CCn3ccnc3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ CRBN Q96SW2 6/20 0.53
▸ TBXAS1 P24557 5/20 0.53
▸ PDE3B Q13370 4/20 0.53
▸ PDE3A Q14432 4/20 0.53
▸ DRD2 P14416 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ GRIN2B Q13224 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL10461740 0.89 ALPG (0.55) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10461812 0.81 CRBN (0.54) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10463554 0.79 TBXAS1 (0.57) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10461627 0.79 TBXAS1 (0.53) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10461629 0.79 TBXAS1 (0.53) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10462993 0.78 TBXAS1 (0.52) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10462991 0.78 TBXAS1 (0.52) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10461476 0.77 TBXAS1 (0.55) HTR1AHTR2AHTR7DRD3DRD4
SCHEMBL10838818 0.77 HTR1A (0.56) HTR1AHTR2AHTR7DRD3DRD4
Acetic Acid SCHEMBL10463268 0.77 TBXAS1 (0.52) HTR1AHTR2AHTR7DRD3DRD4

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-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 — — US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US disclosed
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