SCHEMBL9038883

SCHEMBL9038883

FC(F)(F)c1cccc(CCOc2[c]cccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
IDO1 P14902 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
MIF P14174 1/20 0.43
MAOB P27338 4/20 0.42
SCN8A Q9UQD0 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
DAO P14920 1/20 0.39
ACP3 P15309 1/20 0.39
DPP4 P27487 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL9033990 0.89 GPR84 (0.45) IDO1CYP19A1CYP11B1CYP11B2GPR84
SCHEMBL3321623 0.86 IDO1 (0.54) TAAR1IDO1MAOBTHRATHRB
SCHEMBL9034118 0.84 GPR84 (0.39) TAAR1SIRT2CYP19A1CYP11B1CYP11B2
SCHEMBL2452382 0.78 NPC1 (0.46) IDO1MAOBCYP11B1CYP11B2FFAR1
SCHEMBL5543228 0.77 TAAR1 (0.51) TAAR1IDO1SIRT2MIFMAOB
SCHEMBL4427337 0.77 IDO1 (0.46) IDO1MAOB
SCHEMBL5153857 0.75 CHRM2 (0.45) FFAR1
SCHEMBL2449678 0.74 CYP11B1 (0.40) TAAR1SIRT2MAOBCYP11B1CYP11B2
SCHEMBL14647919 0.73 PPARG (0.40) SCN8AGPR84DAOFFAR1FFAR4
SCHEMBL10840243 0.73 TSHR (0.47) MAOBCYP19A1CYP11B1CYP11B2

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
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP disclosed
US-4578107-A Herbicidal imidazolidine-2-one derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed