SCHEMBL7768807

SCHEMBL7768807

C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1cccnc1)C(=O)NSC(Cc1ccc(Oc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.46
ELANE P08246 1/20 0.37
CFTR P13569 1/20 0.34
BIRC2 Q13490 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
GPR132 Q9UNW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
PIK3CD O00329 1/20 0.33
MMP13 P45452 1/20 0.33
ACE P12821 1/20 0.33
TACR1 P25103 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
SCHEMBL7768808 0.85 CACNA1B (0.47) CACNA1BBIRC2PREPACE
SCHEMBL7110494 0.84 CACNA1B (0.50) CACNA1BBIRC2
SCHEMBL7772779 0.83 CACNA1B (0.48) CACNA1BBIRC2PREPACE
SCHEMBL6363858 0.81 CACNA1B (0.46) CACNA1BALDH1A1
SCHEMBL7772743 0.81 SMN1; SMN2 (0.41) CACNA1BALDH1A1
SCHEMBL7110461 0.80 CACNA1B (0.44) CACNA1BELANEACE
SCHEMBL7107053 0.79 CACNA1B (0.45) CACNA1BBIRC2
SCHEMBL7776360 0.78 CACNA1B (0.43) CACNA1BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7774650 0.77 CACNA1B (0.42) CACNA1BALDH1A1KDM4E
SCHEMBL7768814 0.77 CACNA1B (0.39) CACNA1BBIRC2ALDH1A1CYP3A4MMP13

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-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP disclosed