SCHEMBL9429657

SCHEMBL9429657

NC(=O)CCn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.85
TBXA2R P21731 8/20 0.85
PTGDR Q13258 6/20 0.85
ABCB11 O95342 1/20 0.85
CYP2C9 P11712 1/20 0.85
DRD1 P21728 1/20 0.85
CCKAR P32238 1/20 0.85
RB1 P06400 1/20 0.48
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 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
Ramatroban SCHEMBL29031 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29503087 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29030 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427851 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL20769768 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427848 0.91 PTGDR2 (0.98) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427849 0.91 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL9869501 0.91 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427850 0.91 PTGDR2 (0.98) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9593991 0.89 PTGDR2 (0.82) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374647-A Anticoagulants, thromboxane synthase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5096897-A Antiallergens, antiischemic agents, treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5039670-A Anticoagulants, antiasthma, antiallergens BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed
EP-0425906-A2 Substituted cycloalkano[b]dihydroindol- and -indolsulfonamides BAYER AG (DE) 1991-05-08 EP disclosed
US-4902698-A Benzenesulphonamidopyridyl compounds which are useful as thromboxane A.sub.2 SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-20 US disclosed