SCHEMBL9879636

SCHEMBL9879636

O=C(CCN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.74
HTR7 P34969 2/20 0.53
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
KCNA3 P22001 1/20 0.49
DRD2 P14416 1/20 0.47

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
SCHEMBL9875807 0.92 SIGMAR1 (0.72) SIGMAR1HTR7PPARGPPARADRD2
SCHEMBL9872889 0.90 SIGMAR1 (0.59) SIGMAR1HTR7PPARGPPARADRD2
SCHEMBL10974420 0.86 PPARG (0.55) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL4587710 0.85 SIGMAR1 (0.52) SIGMAR1HTR7PPARGPPARA
Hydrochloric Acid SCHEMBL10734491 0.85 PPARG (0.54) SIGMAR1HTR7PPARGPPARAKCNA3
Hydrochloric Acid SCHEMBL4588328 0.84 SIGMAR1 (0.51) SIGMAR1HTR7PPARGPPARA
SCHEMBL4589148 0.82 SIGMAR1 (0.48) SIGMAR1HTR7PPARGPPARADRD2
SCHEMBL4589087 0.82 PPARG (0.50) SIGMAR1HTR7PPARGPPARA
SCHEMBL9501239 0.81 SIGMAR1 (0.55) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL6653223 0.81 PPARG (0.51) SIGMAR1HTR7PPARGPPARA

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
WO-1991008200-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AS ACTIVE AGENTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO claimed