SCHEMBL8948760

SCHEMBL8948760

N=C(NO)c1ccc(N2CC(CN3CCN(CCC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
SIGMAR1 Q99720 8/20 0.43
GRM2 Q14416 1/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SLC6A2 P23975 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM1 P11229 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PRSS1 P07477 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
F10 P00742 3/20 0.39
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6602131 0.92 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6605994 0.91 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6603058 0.91 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6603951 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6601805 0.90 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6606277 0.88 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6600611 0.88 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1GRM2TMEM97
SCHEMBL6601240 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1TMEM97SLC6A2
SCHEMBL6601284 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1TMEM97SLC6A2
SCHEMBL6601100 0.87 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2TMEM97

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed