SCHEMBL8970627

SCHEMBL8970627

OC(CCN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
SLC6A4 P31645 5/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 4/20 0.50
HTR7 P34969 2/20 0.47
DRD1 P21728 1/20 0.42
KCNA3 P22001 1/20 0.42
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 1/20 0.39
S1PR5 Q9H228 1/20 0.38

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
Hydrochloric Acid SCHEMBL8971204 0.99 PPARG (0.50) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970668 0.93 PPARG (0.47) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970813 0.92 HTR7 (0.49) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970690 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3DRD1KCNA3
Hydrochloric Acid SCHEMBL8971478 0.87 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3DRD1KCNA3
SCHEMBL8970841 0.86 PPARG (0.46) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL4589037 0.85 HTR7 (0.52) PPARGPPARAHTR7KCNA3KDM4E
SCHEMBL8971631 0.83 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3DRD1KDM4E
SCHEMBL4589309 0.83 HTR7 (0.53) PPARGPPARAHTR7KCNA3KDM4E
Hydrochloric Acid SCHEMBL8970739 0.82 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3DRD1KDM4E

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-0490560-B1 1,2,3,6-Tetrahydropyridine derivatives RICHTER GEDEON VEGYESZET (HU) 1996-03-20 EP claimed