SCHEMBL9214517

SCHEMBL9214517

CCCCCCCCC=CCCCCCCCCNN1CCNCC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.78
GNAO1 P09471 5/20 0.78
GNAI1 P63096 5/20 0.78
PPARA Q07869 2/20 0.41
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
EPHX2 P34913 6/20 0.38

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
SCHEMBL9214500 1.00 GNAI3 (0.78) GNAI3GNAO1GNAI1PPARAFAAH
SCHEMBL27389928 0.90 GNAO1 (0.96) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL5370724 0.88 GNAO1 (1.00) GNAI3GNAO1GNAI1
Bromide SCHEMBL27708672 0.88 GNAO1 (0.93) GNAI3GNAO1GNAI1
SCHEMBL8760209 0.85 GNAI3 (0.54) GNAI3GNAO1GNAI1PPARAFAAH
SCHEMBL8759047 0.83 GNAI3 (0.53) GNAI3GNAO1GNAI1PPARAFAAH
SCHEMBL4347632 0.79 GNAI3 (0.49) GNAI3GNAO1GNAI1PPARAFAAH
SCHEMBL1943207 0.77 GNAI3 (0.50) GNAI3GNAO1GNAI1PPARAFAAH
SCHEMBL28632179 0.76 GNAI3 (0.70) GNAI3GNAO1GNAI1PPARA
SCHEMBL28627512 0.76 GNAI3 (0.70) GNAI3GNAO1GNAI1PPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed