SCHEMBL7444115

SCHEMBL7444115

Nc1ccc2c(c1)CNC(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HDAC8 Q9BY41 4/20 0.38
PNMT P11086 1/20 0.38
GRIA2 P42262 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL31369696 1.00 EGLN1 (0.44) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL31370222 1.00 EGLN1 (0.44) EGLN1GAAMAPTOPRM1OPRD1
Hydrochloric Acid SCHEMBL8488033 0.98 EGLN1 (0.43) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL31370224 0.94 EGLN1 (0.44) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL539874 0.82 KCNH2 (0.46) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL29589035 0.82 KCNH2 (0.46) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL539875 0.82 KCNH2 (0.46) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL29588998 0.82 KCNH2 (0.46) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL1280052 0.82 KCNH2 (0.46) EGLN1GAAMAPTOPRM1OPRD1
SCHEMBL29584516 0.82 KCNH2 (0.46) EGLN1GAAMAPTOPRM1OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401676-B1 Enzyme inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-11 EP disclosed
US-5212157-A Tetrapeptides as inhibitors of HIV BIO-MEGA, INC. (CA) 1993-05-18 US disclosed
EP-0401676-A1 Enzyme inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1990-12-12 EP disclosed