SCHEMBL7338546

SCHEMBL7338546

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.39
ITGA2B P08514 14/20 0.39
ITGAV P06756 1/20 0.34
F2 P00734 3/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7285462 0.92 F2 (0.34) ITGB3ITGA2BF2
SCHEMBL7283465 0.91 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7277414 0.91 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7275494 0.90 ITGB3 (0.41) ITGB3ITGA2BF2OPRK1KCNH2
SCHEMBL7275347 0.90 F2 (0.35) ITGB3ITGA2BF2
SCHEMBL7284015 0.89 ITGB3 (0.36) ITGB3ITGA2BALDH1A1
SCHEMBL7284247 0.87 HTR1A (0.37) OPRM1KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL7278142 0.87 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7273468 0.86 ITGB3 (0.54) ITGB3ITGA2BITGAVF2ALDH1A1
SCHEMBL7276387 0.86 ITGB3 (0.54) ITGB3ITGA2BITGAVF2ALDH1A1

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
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP claimed