SCHEMBL8970841

SCHEMBL8970841

OC(CCN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
HTR7 P34969 2/20 0.45
SIGMAR1 Q99720 10/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD2 P14416 1/20 0.41

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
SCHEMBL8970668 0.94 PPARG (0.47) PPARGPPARAHTR7SIGMAR1MEN1
SCHEMBL8970813 0.93 HTR7 (0.49) PPARGPPARAHTR7SIGMAR1MEN1
SCHEMBL8970627 0.86 PPARG (0.51) PPARGPPARAHTR7SIGMAR1MEN1
SCHEMBL8970924 0.86 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AHTR1ASLC6A2
SCHEMBL8971237 0.86 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AHTR1ASLC6A2
SCHEMBL8970701 0.85 SIGMAR1 (0.56) PPARGPPARASIGMAR1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL8971204 0.85 PPARG (0.50) PPARGPPARAHTR7SIGMAR1MEN1
SCHEMBL9092165 0.84 SIGMAR1 (0.57) PPARGPPARASIGMAR1HTR1ASLC6A2
SCHEMBL9090508 0.83 SIGMAR1 (0.57) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4589848 0.83 SIGMAR1 (0.55) PPARGPPARAHTR7SIGMAR1MEN1

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 6 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
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 claimed
EP-0490560-A1 1,2,3,6-Tetrahydropyridine derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-06-17 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