SCHEMBL8970668

SCHEMBL8970668

OC(CCN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR7 P34969 2/20 0.44
SIGMAR1 Q99720 9/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 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
SCHEMBL8970841 0.94 PPARG (0.46) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970627 0.93 PPARG (0.51) PPARGPPARASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8971204 0.92 PPARG (0.50) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970813 0.87 HTR7 (0.49) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970731 0.86 SLC6A4 (0.57) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8970673 0.85 SIGMAR1 (0.52) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8971041 0.83 SLC6A4 (0.59) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL8971276 0.83 SIGMAR1 (0.56) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL9092085 0.81 SIGMAR1 (0.58) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL9090508 0.81 SIGMAR1 (0.57) SLC6A4SLC6A2SLC6A3SIGMAR1KDM4E

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