SCHEMBL9699646

SCHEMBL9699646

CC(Cc1c[nH]c2ncccc12)(NC(=O)O)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.43
TACR3 P29371 1/20 0.43
MTNR1A P48039 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
MET P08581 1/20 0.39

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
SCHEMBL8892928 0.87 TACR1 (0.57) TACR1TACR3
SCHEMBL9700982 0.84 CCKBR (0.56)
SCHEMBL8893578 0.76 TACR1 (0.51) TACR1TACR3
SCHEMBL8894105 0.76 TACR1 (0.51) TACR1TACR3
SCHEMBL8894222 0.75 TACR1 (0.48) TACR1TACR3
SCHEMBL7665676 0.74 TACR3 (0.43) TACR1TACR3
SCHEMBL7672110 0.74 TACR1 (0.54) TACR1TACR3
SCHEMBL8894671 0.74 NMBR (0.71) TACR1TACR3
SCHEMBL8894285 0.74 NMBR (0.71) TACR1TACR3
SCHEMBL8892775 0.74 NMBR (0.71) TACR1TACR3

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
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed