SCHEMBL5043217

SCHEMBL5043217

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
CTPS1 P17812 1/20 0.36
PTGER4 P35408 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
FAAH O00519 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5046400 0.91 PTGER1 (0.37) MRGPRX4PTGER4TAAR1GLA
SCHEMBL7227270 0.88 MRGPRX4 (0.44) MRGPRX4HTR2AHTR2CHTR2BLMNA
SCHEMBL5725959 0.87 MRGPRX4 (0.43) MRGPRX4PTGER4HTR2AHTR2CHTR2B
SCHEMBL5725372 0.85 MRGPRX4 (0.42) MRGPRX4
SCHEMBL5726349 0.84 MRGPRX4 (0.41) MRGPRX4PTGER4HTR2AHTR2CHTR2B
SCHEMBL5724836 0.83 MRGPRX4 (0.46) MRGPRX4HTR2AHTR2CHTR2BFAAH
SCHEMBL5725790 0.83 MRGPRX4 (0.41) MRGPRX4KDM4E
SCHEMBL5862640 0.83 MRGPRX4 (0.51) MRGPRX4FAAHLMNAKDM4EMAPT
SCHEMBL5725437 0.82 MRGPRX4 (0.44) MRGPRX4HTR2AHTR2CHTR2BFAAH
SCHEMBL5725147 0.80 MRGPRX4 (0.43) MRGPRX4FAAHLMNAKDM4EMAPT

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-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
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed