SCHEMBL14416465

SCHEMBL14416465

CNCC(O)C(N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.55
F2 P00734 2/20 0.50
EPHX1 P07099 1/20 0.50
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
LAP3 P28838 3/20 0.46
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
MMP2 P08253 1/20 0.45
SLC15A1 P46059 1/20 0.45

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
SCHEMBL5382613 1.00 CSNK1E (0.55) CSNK1EF2EPHX1TAAR1SLC6A2
SCHEMBL496397 1.00 CSNK1E (0.55) CSNK1EF2EPHX1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL495891 0.98 CSNK1E (0.54) CSNK1EF2EPHX1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL5218394 0.98 CSNK1E (0.54) CSNK1EF2EPHX1TAAR1SLC6A2
SCHEMBL7300383 0.85 CSNK1E (0.54) CSNK1EF2EPHX1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL7310009 0.84 CSNK1E (0.53) CSNK1EF2EPHX1TAAR1SLC6A2
SCHEMBL3355611 0.83 CSNK1E (0.56) CSNK1EF2EPHX1TAAR1SLC6A2
SCHEMBL5382881 0.83 CSNK1E (0.53) CSNK1EF2EPHX1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL5224300 0.81 CSNK1E (0.51) CSNK1EF2EPHX1TAAR1SLC6A2
SCHEMBL1286638 0.81 CSNK1E (0.51) CSNK1EF2EPHX1TAAR1SLC6A2

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-3795572-B1 DARUNAVIR PROPIONATE SOLVATE LAURUS LABS LTD (IN) 2023-11-15 EP disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed