SCHEMBL20845127

SCHEMBL20845127

COc1ccc(-n2ccc(OCc3c(C)cccc3N(N)C(=O)N(C)N)n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL20844967 0.90 NR1H4 (0.35)
SCHEMBL20844915 0.86 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL20844928 0.83 CYP1A2 (0.31)
SCHEMBL19909868 0.83 ALDH1A1 (0.35)
SCHEMBL20844936 0.83 NR1H4 (0.30)
SCHEMBL20844971 0.82 EDNRA (0.30)
SCHEMBL20845274 0.82
SCHEMBL20845273 0.80 NR1H4 (0.31)
SCHEMBL20845132 0.80 CRHR1 (0.33) CRHR1
SCHEMBL22564019 0.79 NR1H4 (0.33)

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-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed