SCHEMBL7361036

SCHEMBL7361036

NCCOc1ccc(-c2ccc3c(c2)CN(CCC(=O)O)C(=O)C(=O)N3Cc2ccc(F)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
HTR2A P28223 4/20 0.36
FFAR4 Q5NUL3 10/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
FFAR1 O14842 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL7363380 0.86 ITGB3 (0.40) CHRM5HTR2AFFAR4CHRM1FFAR1
SCHEMBL7356283 0.75 ITGB3 (0.43) CHRM5KDM4EALOX15TSHRSIRT1
SCHEMBL7362405 0.73 CHRM5 (0.43) CHRM5HTR2ACHRM1CASP3CASP7
SCHEMBL7362408 0.73 CHRM5 (0.38) CHRM5HTR2ACHRM1CASP3CASP7
SCHEMBL7362910 0.73 CHRM5 (0.37) CHRM5HTR2ACHRM1CASP3CASP7
SCHEMBL7362403 0.72 CHRM5 (0.38) CHRM5HTR2ACHRM1CASP3CASP7
SCHEMBL7359698 0.72 ITGB3 (0.57) FFAR4KDM4EALOX15TSHRSIRT1
SCHEMBL7359718 0.70 ITGB3 (0.41) CHRM5FFAR4KDM4EALOX15TSHR
SCHEMBL7354009 0.69 ITGB3 (0.44) FFAR4KDM4EALOX15TSHRSIRT1
SCHEMBL7353334 0.69 ITGB3 (0.45) FFAR4KDM4EALOX15TSHRSIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed