SCHEMBL8970673

SCHEMBL8970673

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HTR1A P08908 2/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL8971041 0.96 SLC6A4 (0.59) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL8971276 0.94 SIGMAR1 (0.56) SIGMAR1SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL8970731 0.94 SLC6A4 (0.57) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL9092055 0.94 SIGMAR1 (0.56) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL9092165 0.94 SIGMAR1 (0.57) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL8970701 0.93 SIGMAR1 (0.56) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL9092085 0.89 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL8971237 0.88 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL8970924 0.88 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL9091624 0.88 SIGMAR1 (0.61) SIGMAR1HTR1ADRD2LMNAALOX15

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