SCHEMBL8322759

SCHEMBL8322759

N#Cc1ccc(OCc2ccccc2)c(CCc2ccc(NC(=O)NCC(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.39
PTGER1 P34995 2/20 0.38
MRGPRX4 Q96LA9 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL8322879 0.93 MRGPRX4 (0.38) PPIAPTGER1MRGPRX4MTNR1AMTNR1B
SCHEMBL8324638 0.81 MRGPRX4 (0.44) PTGER1MRGPRX4
SCHEMBL8113906 0.72 MRGPRX4 (0.50) PPIAPTGER1MRGPRX4PTGDR2PTGER4
SCHEMBL8409660 0.71 HTR1A (0.59) PTGER1MRGPRX4FFAR1FFAR4
SCHEMBL8678841 0.71 PTGER1 (0.47) PPIAPTGER1MRGPRX4PTGDR2PTGER4
SCHEMBL5089130 0.71 MRGPRX4 (0.53) PPIAPTGER1MRGPRX4PTGDR2PTGER4
Hydrochloric Acid SCHEMBL5098921 0.70 MRGPRX4 (0.52) PPIAPTGER1MRGPRX4PTGDR2PTGER4
SCHEMBL8318509 0.69 MRGPRX4 (0.43) PTGER1MRGPRX4
SCHEMBL9057884 0.69 CCR5 (0.42) PTGER1
SCHEMBL8409628 0.68 MRGPRX4 (0.57) PTGER1MRGPRX4MTNR1AMTNR1BPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed