SCHEMBL7335071

SCHEMBL7335071

C[C@@H]1CCN(C(=O)[C@H](CCC(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.42
CTSL P07711 1/20 0.38
ACE P12821 5/20 0.37
CMA1 P23946 1/20 0.36
LMNA P02545 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL7339153 0.84 ACE (0.41) AGTR2ACELMNA
SCHEMBL7339144 0.84 ACE (0.41) AGTR2ACELMNA
SCHEMBL7335472 0.83 ACE (0.49) CTSLACECMA1
SCHEMBL7335961 0.80 BCL9 (0.38) LMNACACNA1B
SCHEMBL13007477 0.77 ALDH1A1 (0.42) LMNA
SCHEMBL3774280 0.76 CACNA1B (0.43) CTSLCACNA1B
SCHEMBL3774284 0.76 CACNA1B (0.43) CTSLCACNA1B
SCHEMBL7330332 0.74 F2 (0.36) LMNA
SCHEMBL2760309 0.73 NPC1 (0.53)
SCHEMBL7337728 0.73 NPC1 (0.53)

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
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed