SCHEMBL8971276

SCHEMBL8971276

OC(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.56
DRD2 P14416 4/20 0.54
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
DRD3 P35462 2/20 0.46

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
SCHEMBL9091624 0.94 SIGMAR1 (0.61) SIGMAR1DRD2GMNNTP53CYP3A4
SCHEMBL8970673 0.94 SIGMAR1 (0.52) SIGMAR1DRD2SLC6A4SLC6A2SLC6A3
SCHEMBL8970816 0.93 SIGMAR1 (0.60) SIGMAR1DRD2GMNNTP53CYP3A4
SCHEMBL8970920 0.93 SIGMAR1 (0.60) SIGMAR1DRD2GMNNTP53CYP3A4
SCHEMBL8971631 0.90 SLC6A4 (0.56) SIGMAR1SLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL8971041 0.90 SLC6A4 (0.59) SIGMAR1SLC6A4SLC6A2SLC6A3ALOX15
Hydrochloric Acid SCHEMBL8970739 0.89 SLC6A4 (0.55) SIGMAR1SLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL8970731 0.89 SLC6A4 (0.57) SIGMAR1SLC6A4SLC6A2SLC6A3ALOX15
SCHEMBL9093201 0.89 DRD2 (0.64) SIGMAR1DRD2DRD3LMNA
SCHEMBL9092055 0.89 SIGMAR1 (0.56) SIGMAR1DRD2SLC6A4SLC6A2SLC6A3

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