SCHEMBL9538112

SCHEMBL9538112

CCCCCCCCC(C)OC(=O)NC(C)(CNC(CO)C(O)c1ccccc1)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.45
TACR1 P25103 16/20 0.41
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7669465 0.83 ADRB3 (0.44) TACR3TACR1KDM4EKMT2AL3MBTL1
SCHEMBL9338635 0.75 TACR1 (0.55) TACR3TACR1
SCHEMBL9540664 0.75 TACR1 (0.55) TACR3TACR1
SCHEMBL9540669 0.75 TACR1 (0.55) TACR3TACR1
SCHEMBL9538034 0.74 TACR3 (0.54) TACR3TACR1
SCHEMBL9538103 0.74 TACR1 (0.38) TACR3TACR1
SCHEMBL8715712 0.74 TACR3 (0.50) TACR3TACR1
SCHEMBL9539175 0.74 ADRB3 (0.44) TACR3TACR1KMT2A
SCHEMBL9519964 0.73 TACR1 (0.48) TACR3TACR1
SCHEMBL8892928 0.69 TACR1 (0.57) TACR3TACR1

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-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed