SCHEMBL9833660

SCHEMBL9833660

O=C(O)CCn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.87
TBXA2R P21731 8/20 0.87
PTGDR Q13258 6/20 0.87
ABCB11 O95342 1/20 0.87
CYP2C9 P11712 1/20 0.87
DRD1 P21728 1/20 0.87
CCKAR P32238 1/20 0.87
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45

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
SCHEMBL9373404 0.93 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427851 0.93 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29503087 0.93 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29030 0.93 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9373398 0.93 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29031 0.93 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9870636 0.93 PTGDR2 (0.83) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL8980256 0.93 PTGDR2 (0.83) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL20769768 0.93 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427848 0.93 PTGDR2 (0.98) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348460-A4 POLYCYCLICAMINES WITH PSYCHOTROPIC ACTIVITY 1991-11-27 EP disclosed
EP-0242518-B1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1991-04-10 EP disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4965258-A Anticoagulant; thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
WO-1989004311-A1 POLYCYCLICAMINES WITH PSYCHOTROPIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-18 WO disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed