SCHEMBL5046400

SCHEMBL5046400

O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)C2CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
PRKG1 Q13976 1/20 0.36
GLA P06280 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
AKR1C3 P42330 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
NAAA Q02083 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 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
SCHEMBL5043217 0.91 MRGPRX4 (0.41) MRGPRX4TAAR1GLAPTGER4
SCHEMBL2769588 0.85 TAS2R14 (0.39) TAS2R14MRGPRX4TAAR1AKR1C3PLAAT3
SCHEMBL5727230 0.85 TAS2R14 (0.39) TAS2R14MRGPRX4TAAR1AKR1C3PLAAT3
SCHEMBL5726407 0.85 TAS2R14 (0.39) TAS2R14MRGPRX4TAAR1AKR1C3PLAAT3
SCHEMBL5726420 0.85 TAS2R14 (0.41) TAS2R14MRGPRX4TAAR1AKR1C3PLAAT3
SCHEMBL5046905 0.84 TAS2R14 (0.50) TAS2R14MRGPRX4AKR1C3PLAAT3PLAAT5
SCHEMBL5043229 0.84 TAS2R14 (0.40) TAS2R14MRGPRX4AKR1C3PLAAT3PLAAT5
SCHEMBL5726679 0.84 CCR5 (0.42) PTGER1PTGER3MRGPRX4TAAR1GLA
SCHEMBL5725030 0.82 CCR5 (0.41) PTGER1PTGER3TAAR1PRKG1GLA
SCHEMBL5725567 0.82 TAS2R14 (0.37) TAS2R14MRGPRX4TAAR1AKR1C3PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed