SCHEMBL22917068

SCHEMBL22917068

CC1CC[C@@H]1N(CCNC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.48
CNR2 P34972 4/20 0.48
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL24671736 0.70 BCHE (0.50) CNR1CNR2SLC6A2SLC6A3RAB9A
SCHEMBL24671773 0.70 BCHE (0.50) CNR1CNR2SLC6A2SLC6A3RAB9A
SCHEMBL9493656 0.70 CNR1 (0.61) CNR1CNR2RAB9AALDH1A1NPSR1
SCHEMBL6432979 0.69 CNR1 (0.69) CNR1CNR2RAB9AALDH1A1NPSR1
SCHEMBL10436090 0.67 CNR1 (0.60) CNR1CNR2
SCHEMBL6435664 0.67 CNR1 (0.75) CNR1CNR2RAB9AALDH1A1NPSR1
SCHEMBL6436285 0.67 CNR1 (0.69) CNR1CNR2
SCHEMBL2364197 0.67 BCHE (0.62) CNR1CNR2SLC6A2SLC6A3RAB9A
SCHEMBL9832121 0.66 CNR1 (0.69) CNR1CNR2RAB9AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL9494259 0.66 CNR1 (0.58) CNR1CNR2RAB9A

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
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed