SCHEMBL8893500

SCHEMBL8893500

O=C(O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
CTSL P07711 1/20 0.54
ACE P12821 1/20 0.54
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MME P08473 1/20 0.53
BRS3 P32247 1/20 0.53
NMBR P28336 1/20 0.53
TACR1 P25103 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
ECE1 P42892 1/20 0.53

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
SCHEMBL8893493 1.00 LTA4H (0.55) LTA4HCTSLACEMMP9MMP8
SCHEMBL16617939 0.90 CTSL (0.65) CTSLTACR1
SCHEMBL29960207 0.86 ECE1 (0.54) LTA4HCTSLACEMAPTECE1
SCHEMBL7141475 0.85 CTSL (0.70) LTA4HCTSLMMEECE1
SCHEMBL19412126 0.84 SMN1; SMN2 (0.59) ACEMAPTECE1
SCHEMBL19412127 0.84 SMN1; SMN2 (0.59) ACEMAPTECE1
SCHEMBL7134729 0.84 ECE1 (0.57) LTA4HCTSLACEMMEMAPT
SCHEMBL7136527 0.83 NMBR (0.68) MMENMBRGAAMAPTHTT
SCHEMBL23100729 0.83 ECE1 (0.65) LTA4HCTSLTACR1MAPTECE1
SCHEMBL23100728 0.83 ECE1 (0.65) LTA4HCTSLTACR1MAPTECE1

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-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed