SCHEMBL7342977

SCHEMBL7342977

COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1nnn[nH]1)OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MME P08473 3/20 0.39
ECE1 P42892 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
AGTR2 P50052 1/20 0.38
MMEL1 Q495T6 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL7342429 0.89 MME (0.49) L3MBTL1MMEECE1AGTR2MMEL1
SCHEMBL7342991 0.83 MME (0.39) MMEECE1AGTR2MMEL1
SCHEMBL7309933 0.80 MMEL1 (0.59) L3MBTL1MMEMMEL1
SCHEMBL7318069 0.80 MMEL1 (0.59) L3MBTL1MMEMMEL1
SCHEMBL8921710 0.76 ECE1 (0.49) MMEECE1AGTR2MMEL1
SCHEMBL8923646 0.76 ECE1 (0.49) MMEECE1AGTR2MMEL1
SCHEMBL7354164 0.76 L3MBTL1 (0.46) L3MBTL1MMEL1CTSLCTSS
SCHEMBL7340085 0.76 NAALAD2 (0.42) L3MBTL1MMEECE1CTSLCTSS
SCHEMBL7343009 0.76 HDAC3 (0.39) MMEECE1AGTR2MMEL1
SCHEMBL7319489 0.76 CTSS (0.49) L3MBTL1MMEL1CTSLCTSS

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-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed