SCHEMBL7825622

SCHEMBL7825622

CC(C)(NC(=O)c1ccc(C#N)cc1)C(C(=O)O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PRSS1 P07477 5/20 0.45
CTSG P08311 5/20 0.45
CTRB1 P17538 5/20 0.45
CMA1 P23946 5/20 0.45
EPHX2 P34913 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MLYCD O95822 1/20 0.41
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL7835765 0.80 MEN1 (0.49) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL7837405 0.77 MEN1 (0.47) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL7834666 0.77 SIGMAR1 (0.41) PRSS1CTSGCTRB1CMA1
SCHEMBL7836334 0.76 NPC1 (0.49) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL7837709 0.76 EPHX2 (0.47) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL7825860 0.75 PRSS1 (0.58) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL7837208 0.74 CTSG (0.47) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7825623 0.74 CTSG (0.61) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL507273 0.74 EPHX2 (0.55) NPC1RAB9APRSS1CTSGCTRB1
SCHEMBL7835566 0.73 PRSS1 (0.45) NPC1RAB9APRSS1CTSGCTRB1

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
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed