SCHEMBL20150263

SCHEMBL20150263

CCCC(CCC)Nc1cc(C(C)=N)c(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.35
TAS1R1 Q7RTX1 8/20 0.35
CRHR1 P34998 1/20 0.33

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
SCHEMBL25059485 0.68 RAPGEF4 (0.43) TAS1R3TAS1R1CRHR1
SCHEMBL20161881 0.67 PRSS1 (0.39)
SCHEMBL4860025 0.61 TLR7 (0.40) CRHR1
SCHEMBL20133814 0.61 CRHR1 (0.33) TAS1R3TAS1R1CRHR1
SCHEMBL20149895 0.61 TAS1R3 (0.34) TAS1R3TAS1R1
SCHEMBL8047103 0.59 KCNH2 (0.39) TAS1R3TAS1R1CRHR1
SCHEMBL2429720 0.59 HCAR3 (0.44) TAS1R3TAS1R1
SCHEMBL20133776 0.54 ESR1 (0.34)
SCHEMBL20133768 0.54 PRKCI (0.32)
SCHEMBL3377421 0.54 CYP2D6 (0.40) TAS1R3TAS1R1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed