SCHEMBL9338972

SCHEMBL9338972

C=CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4cc(F)c(C#N)c(F)c4)nc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
DGAT1 O75907 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GRM2 Q14416 1/20 0.31
EGLN2 Q96KS0 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
SCHEMBL7736550 0.89 FASN (0.35) FASNDGAT1ADORA2AADORA1GRM2
SCHEMBL7736554 0.89 FASN (0.35) FASNDGAT1ADORA2AADORA1GRM2
SCHEMBL9342749 0.89 EGLN2 (0.39) EGLN2
SCHEMBL9338964 0.88 DGAT1 (0.35) DGAT1
SCHEMBL9339413 0.86 FASN (0.39) FASNDGAT1ADORA2AADORA1GRM2
SCHEMBL9445493 0.86 DGAT1 (0.34) DGAT1
SCHEMBL9343500 0.86 DGAT1 (0.34) DGAT1
SCHEMBL9445468 0.86 FASN (0.39) FASNDGAT1ADORA2AADORA1GRM2
SCHEMBL9338880 0.86 GRIN2B (0.35) DGAT1
SCHEMBL9445492 0.84 CYP2C9 (0.41) FASNDGAT1ADORA2AADORA1GRM2

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-0391591-B1 Pyrimidine derivative and liquid crystal composition incorporating the same SEIKO EPSON CORP (JP) 1994-06-15 EP disclosed