SCHEMBL10463777

SCHEMBL10463777

O=C1CCc2cc(C#CCCn3ccnc3)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.52
▸ PDE3A Q14432 6/20 0.52
▸ TBXAS1 P24557 5/20 0.52
▸ CRBN Q96SW2 4/20 0.52
▸ GRIN1 Q05586 3/20 0.43
▸ TNIK Q9UKE5 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ QPCT Q16769 2/20 0.38
▸ OGA O60502 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ DRD3 P35462 2/20 0.35

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
SCHEMBL10464711 0.94 TBXAS1 (0.50) PDE3BPDE3ATBXAS1CRBNGRIN1
SCHEMBL10461647 0.89 TBXAS1 (0.54) PDE3BPDE3ATBXAS1CRBNGRIN1
SCHEMBL10461476 0.79 TBXAS1 (0.55) PDE3BPDE3ATBXAS1CRBNHTR1A
SCHEMBL10463554 0.78 TBXAS1 (0.57) PDE3BPDE3ATBXAS1CRBNTNIK
Hydrochloric Acid SCHEMBL10464252 0.78 TBXAS1 (0.54) PDE3BPDE3ATBXAS1CRBNHTR1A
SCHEMBL10464344 0.76 HTR1A (0.57) PDE3BPDE3ATBXAS1CRBNHTR1A
SCHEMBL10463487 0.75 TBXAS1 (0.65) PDE3BPDE3ATBXAS1CRBNTNIK
SCHEMBL10463488 0.75 TBXAS1 (0.65) PDE3BPDE3ATBXAS1CRBNTNIK
SCHEMBL10463789 0.75 HTR1A (0.53) PDE3BPDE3ATBXAS1CRBNHTR1A
Acetic Acid SCHEMBL10463268 0.74 TBXAS1 (0.52) PDE3BPDE3ATBXAS1CRBNHTR1A

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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