SCHEMBL10463554

SCHEMBL10463554

O=C1CCc2cc(CCn3ccnc3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 6/20 0.57
▸ PDE3B Q13370 5/20 0.57
▸ PDE3A Q14432 5/20 0.57
▸ CRBN Q96SW2 3/20 0.57
▸ HTR1A P08908 6/20 0.49
▸ DRD2 P14416 5/20 0.49
▸ HTR2A P28223 5/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ CYP19A1 P11511 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 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
SCHEMBL10461476 0.93 TBXAS1 (0.55) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10464344 0.92 HTR1A (0.57) TBXAS1PDE3BPDE3ACRBNHTR1A
Hydrochloric Acid SCHEMBL10464252 0.92 TBXAS1 (0.54) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL27653364 0.89 HTR1A (0.47) TBXAS1PDE3BPDE3ACRBNHTR1A
Acetic Acid SCHEMBL10463268 0.87 TBXAS1 (0.52) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10463487 0.79 TBXAS1 (0.65) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10463488 0.79 TBXAS1 (0.65) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL10463789 0.79 HTR1A (0.53) TBXAS1PDE3BPDE3ACRBNHTR1A
SCHEMBL4816440 0.79 TBXAS1 (0.48) TBXAS1CYP19A1KMT2ACYP1A2CYP2C9
SCHEMBL10463777 0.78 PDE3B (0.52) TBXAS1PDE3BPDE3ACRBNHTR1A

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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