SCHEMBL7916657

SCHEMBL7916657

NC(CCO)C(O)C(=O)NCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
MMP8 P22894 3/20 0.57
CNR1 P21554 3/20 0.56
LAP3 P28838 2/20 0.55
ANPEP P15144 1/20 0.55
RNPEP Q9H4A4 1/20 0.55
DNPEP Q9ULA0 1/20 0.55
METAP2 P50579 2/20 0.55
METAP1 P53582 1/20 0.54
KDM4A O75164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CNR2 P34972 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7924570 0.92 METAP2 (0.60) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL7361190 0.82 LAP3 (0.67) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL7358146 0.81 LAP3 (0.53) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL7352471 0.81 LAP3 (0.53) CYP2D6CYP2C9CYP2C19KMT2AMMP8
Hydrochloric Acid SCHEMBL7353077 0.81 LAP3 (0.66) CYP2D6CYP2C9CYP2C19KMT2AMMP8
Hydrochloric Acid SCHEMBL7360809 0.80 LAP3 (0.52) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL7374328 0.80 CYP2D6 (0.63) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL29722572 0.80 CYP2D6 (0.67) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL7925096 0.80 KMT2A (0.52) CYP2D6CYP2C9CYP2C19KMT2AMMP8
Hydrochloric Acid SCHEMBL7499541 0.78 METAP2 (0.61) CYP2D6CYP2C9CYP2C19KMT2AMMP8

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-6235929-B1 SELECTIVELY INHIBITING SERINE PROTEASES, SELECTIVELY INHIBITING CYSTEINE PROTEASES, GEORGIA TECH RESEARCH CORPORATION 2001-05-22 US disclosed
US-5763576-A Tetrapeptide α-ketoamides GEORGIA TECH RESEARCH CORP. (US) 1998-06-09 US disclosed