SCHEMBL20005248

SCHEMBL20005248

Cc1ccc(-c2cc(C)c(C#Cc3ccc(-c4ccc(-c5ccc6c(F)c(F)c(F)cc6c5)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL20004795 0.89 GRM5 (0.34) GRM5PDE3BPDE3A
SCHEMBL20005269 0.87 GRM5 (0.33) GRM5
SCHEMBL19999574 0.86
SCHEMBL19999441 0.85 GRM5 (0.34) GRM5PDE3BPDE3A
SCHEMBL20005289 0.85 AKR1C3 (0.33) GRM5PDE3BPDE3A
SCHEMBL20004910 0.83 GRM5 (0.33) GRM5PDE3BPDE3A
SCHEMBL20004705 0.83 GRM5 (0.32) GRM5PDE3BPDE3A
SCHEMBL20005223 0.82 GRM5 (0.34) GRM5PDE3BPDE3A
SCHEMBL20004646 0.82 KDM1A (0.31) PDE3BPDE3A
SCHEMBL17083194 0.81 ESR1 (0.40) GRM5HSD17B1HSD17B2PDE3BPDE3A

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-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed