SCHEMBL21023804

SCHEMBL21023804

CCCC(CCC)N/C(=C\C(=N)CF)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL21023830 0.81 TAS1R3 (0.36) TAS1R3TAS1R1
SCHEMBL21024165 0.81 TAS1R3 (0.32) TAS1R3TAS1R1
SCHEMBL21023829 0.75 TAS1R3 (0.32) TAS1R3TAS1R1
SCHEMBL20852462 0.70 TAS1R3 (0.38) TAS1R3TAS1R1
SCHEMBL21023820 0.66 DPP7 (0.35)
SCHEMBL14521585 0.60 TAS1R3 (0.47) TAS1R3TAS1R1
SCHEMBL22255427 0.60 TAS1R3 (0.38) TAS1R3TAS1R1
SCHEMBL22681265 0.57 TAS1R3 (0.44) TAS1R3TAS1R1
SCHEMBL3421233 0.56 TAS1R3 (0.52) TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL6268148 0.55 TAS1R3 (0.37) 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
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed