SCHEMBL20149219

SCHEMBL20149219

CCC(C)Oc1cc(F)c(N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
SLC2A1 P11166 1/20 0.35
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
DHODH Q02127 6/20 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
SCHEMBL8599131 0.81 SLC2A1 (0.39) MCHR1SLC2A1DHODH
SCHEMBL14453810 0.81 TLR8 (0.36) MCHR1
SCHEMBL29568555 0.75 ALDH1A1 (0.33)
SCHEMBL22804322 0.75 ALDH1A1 (0.33)
SCHEMBL3255484 0.73 MAPT (0.47)
SCHEMBL26814553 0.71 KDM4E (0.44) DHODH
SCHEMBL12329319 0.71 HTT (0.37) MCHR1DHODH
SCHEMBL171317 0.71 MRGPRX4 (0.38) MCHR1SLC2A1DHODH
SCHEMBL2784570 0.70 MAPT (0.49) MCHR1
SCHEMBL28784596 0.70 CYP4F2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089373-A9 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-07-12 WO disclosed
WO-2018089373-A2 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed