SCHEMBL8970813

SCHEMBL8970813

OC(CCN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
KCNA3 P22001 1/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRL1 P41146 1/20 0.41
PARP1 P09874 1/20 0.41
S1PR5 Q9H228 1/20 0.41
GRIN2B Q13224 1/20 0.40

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
SCHEMBL8970841 0.93 PPARG (0.46) HTR7PPARGPPARASLC6A4SLC6A2
SCHEMBL8970627 0.92 PPARG (0.51) HTR7PPARGPPARAKCNA3SLC6A4
Hydrochloric Acid SCHEMBL8971204 0.91 PPARG (0.50) HTR7PPARGPPARAKCNA3SLC6A4
SCHEMBL8971350 0.87 SLC6A4 (0.54) KCNA3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL8970668 0.87 PPARG (0.47) HTR7PPARGPPARASLC6A4SLC6A2
SCHEMBL4589309 0.86 HTR7 (0.53) HTR7PPARGPPARAKCNA3SIGMAR1
SCHEMBL9093164 0.85 GRIN2B (0.49) HTR7PPARGPPARAKCNA3KDM4E
SCHEMBL8971363 0.84 SIGMAR1 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8970702 0.84 SIGMAR1 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
Paliroden SCHEMBL4587135 0.82 HTR7 (0.53) HTR7PPARGPPARAKCNA3SIGMAR1

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 4 patents. 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
EP-0490560-B1 1,2,3,6-Tetrahydropyridine derivatives RICHTER GEDEON VEGYESZET (HU) 1996-03-20 EP disclosed
US-5225416-A 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES USEFUL FOR IMPROVING CEREBRAL BLOOD CIRCULATION RICHTER GEDEON VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-07-06 US disclosed
EP-0490560-A1 1,2,3,6-Tetrahydropyridine derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-06-17 EP disclosed