SCHEMBL9445965

SCHEMBL9445965

O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1cccnc1)CC2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 15/20 0.73
▸ TBXA2R P21731 6/20 0.73
▸ PTGDR Q13258 5/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ DRD1 P21728 1/20 0.73
▸ CCKAR P32238 1/20 0.73
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.45
▸ TBXAS1 P24557 2/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42

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
SCHEMBL9445961 1.00 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9833660 0.91 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9373404 0.90 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9373398 0.90 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9446071 0.86 PTGDR2 (0.74) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9446069 0.86 PTGDR2 (0.74) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9870636 0.85 PTGDR2 (0.83) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29030 0.85 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL8980256 0.85 PTGDR2 (0.83) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL20769768 0.85 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204374-A Anticoagulants; thromboxane A2-antagonist; antiischemic agents; cardiovascular disorders; asthma; antiallergens BAYER AKTIENGESELLSCHAFT (DE) 1993-04-20 — — US claimed
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