SCHEMBL903694

SCHEMBL903694

CCCNC[C@@H](N)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.47
ERAP2 Q6P179 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 SCHEMBL9744983 0.80 ANPEP (0.33) ANPEPERAP2
SCHEMBL1273926 0.79
SCHEMBL15338640 0.79
SCHEMBL26050465 0.78 CYP2C19 (0.46) ANPEPERAP2
SCHEMBL20125502 0.76 ANPEP (0.40) ANPEP
SCHEMBL27642152 0.76
Isopropylamine SCHEMBL1761219 0.75 ANPEP (0.44) ANPEPERAP2
SCHEMBL15765786 0.75 ANPEP (0.47) ANPEPERAP2
SCHEMBL21649314 0.75 ANPEP (0.31) ANPEPERAP2
SCHEMBL3153787 0.74 ANPEP (0.40) ANPEP

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-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed