SCHEMBL8893028

SCHEMBL8893028

NC(=S)c1ccc(N2CC(C(=O)N3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KCNH2 Q12809 1/20 0.36
HPGD P15428 1/20 0.35
ENPP2 Q13822 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GRM2 Q14416 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ADRB1 P08588 1/20 0.33
HRH1 P35367 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL8892077 0.91 ITGB3 (0.43) ITGB3ITGA2BHPGD
SCHEMBL8891141 0.89 ITGB3 (0.40) ITGB3ITGA2BHPGDSMN1; SMN2GRM2
SCHEMBL8894919 0.86 ITGB3 (0.40) ITGB3ITGA2BHPGDGRM2ADRB1
SCHEMBL8892948 0.85 SMN1; SMN2 (0.44) ITGB3ITGA2BHPGDSMN1; SMN2CYP2C19
SCHEMBL8891751 0.85 FNTA (0.45) ITGB3ITGA2BGRM2POLBHRH1
SCHEMBL7466571 0.84 SMN1; SMN2 (0.38) ITGB3ITGA2BKCNH2HPGDSMN1; SMN2
SCHEMBL8891722 0.83 ITGB3 (0.36) ITGB3ITGA2BHPGDSMN1; SMN2GRM2
SCHEMBL7457368 0.83 ITGB3 (0.41) ITGB3ITGA2BENPP2HRH1TMEM97
SCHEMBL8894032 0.82 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8892340 0.80 MEN1 (0.42) ITGB3ITGA2BKMT2AMEN1CA1

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-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed