SCHEMBL6919562

SCHEMBL6919562

CC1CC[C@@H](C(=O)NC(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)N1Cc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
MC4R P32245 1/20 0.36
F2 P00734 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
F10 P00742 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CACNA1B Q00975 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL6915425 0.86 F2 (0.42) F2KMT2AMEN1APOBEC3AAPOBEC3G
SCHEMBL6919558 0.82 F2 (0.41) SCN9AMC4RF2F10PLAT
SCHEMBL6077330 0.80 F2 (0.39) SCN9AMC4RF2F10PLAT
SCHEMBL6920452 0.78 SCN9A (0.36) SCN9AMC4RF2F10PLAT
SCHEMBL6919273 0.75 SCN9A (0.35) SCN9AMC4RF2KMT2AMEN1
Hydrochloric Acid SCHEMBL6919401 0.75 F2 (0.41) F2KMT2AMEN1APOBEC3AAPOBEC3G
SCHEMBL6077624 0.73 F2 (0.47) MC4RF2F10PLATPRSS1
SCHEMBL6921204 0.72 F2 (0.40) F2KMT2AMEN1F10PLAT
SCHEMBL6078513 0.71 AAK1 (0.38) SCN9A
SCHEMBL6077326 0.70 ALDH1A1 (0.49) F2F10PLATPRSS1PRSS2

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-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed