SCHEMBL10691427

SCHEMBL10691427

CC(C)CCNC(=O)CNC(=O)C(Br)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
LMNA P02545 1/20 0.54
LAP3 P28838 4/20 0.54
ANPEP P15144 2/20 0.54
RNPEP Q9H4A4 2/20 0.54
DNPEP Q9ULA0 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL10690671 0.82 MME (0.65) PKMLMNALAP3ANPEPRNPEP
SCHEMBL11802584 0.78 MME (0.62) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL10686998 0.78 LAP3 (0.51) PKMLMNALAP3ANPEPRNPEP
SCHEMBL4333811 0.76 CYP3A4 (0.74) PKMLMNALAP3ANPEPRNPEP
SCHEMBL10789439 0.75 CNR1 (0.71) PKMLMNALAP3ANPEPRNPEP
SCHEMBL10694799 0.74 LAP3 (0.44) PKMLMNALAP3ANPEPRNPEP
SCHEMBL28325229 0.74 CYP3A4 (0.67) LAP3ANPEPRNPEPDNPEPKMT2A
SCHEMBL3210919 0.73 ANPEP (0.74) PKMLMNALAP3ANPEPRNPEP
SCHEMBL3210913 0.73 ANPEP (0.74) PKMLMNALAP3ANPEPRNPEP
SCHEMBL7299909 0.73 ANPEP (0.74) PKMLMNALAP3ANPEPRNPEP

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
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed