SCHEMBL28321722

SCHEMBL28321722

CC(Cc1ccccc1)Oc1cc(-c2c[nH]nn2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ RXRG P48443 2/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ IGLV6-57 P01721 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL28876772 0.84 TACR1 (0.37) FFAR4TACR1SLC6A4HTR2AHTR2B
SCHEMBL16398927 0.80 FFAR4 (0.38) PPARGPPARAFFAR4PTPN1RXRA
SCHEMBL31144931 0.73 IKBKB (0.37) PPARGRXRARXRBRXRGRAB9A
SCHEMBL28320827 0.73 PPARG (0.68) PPARGPPARASLC6A4HTR2AHTR2B
SCHEMBL28320549 0.72 PARP14 (0.38) PDE4BNPSR1LMNAMAPT
SCHEMBL16398724 0.72 PPARG (0.44) PPARGPPARAFFAR4TACR1RXRA
SCHEMBL16399237 0.72 PPARG (0.47) PPARGPPARATACR1SLC6A4HTR2A
SCHEMBL28876729 0.70 MRGPRX4 (0.44) —
SCHEMBL28320562 0.69 MAOB (0.35) RXRARXRBRXRG
SCHEMBL5612780 0.68 IDO1 (0.54) RAB9A

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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