SCHEMBL9846443

SCHEMBL9846443

CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
METAP1 P53582 2/20 0.43
CTNNB1 P35222 1/20 0.42
CTSC P53634 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NLN Q9BYT8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TACR1 P25103 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2229695 0.80 CTSC (0.63) CTSCL3MBTL1TACR1
SCHEMBL464778 0.79 ALPI (0.50)
SCHEMBL6018293 0.79 ATM (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL1902233 0.79 ATM (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL3662087 0.78 CTNNB1 (0.47) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL7066174 0.78 ATM (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL8465002 0.78 KMT2A (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL3936305 0.78 KMT2A (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL9630734 0.78 ATM (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL9632609 0.78 ATM (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1

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
EP-0410540-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1991-01-30 EP claimed