SCHEMBL8970727

SCHEMBL8970727

OC(CCN1CC=C(c2ccccc2)CC1)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.49
SIGMAR1 Q99720 5/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR1A P08908 3/20 0.47
IGF1R P08069 2/20 0.43

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
SCHEMBL8971350 0.94 SLC6A4 (0.54) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL8971378 0.89 SIGMAR1 (0.60) SLC6A4SIGMAR1SLC6A3HTR1AIGF1R
SCHEMBL8970633 0.89 SIGMAR1 (0.60) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL8970924 0.88 SIGMAR1 (0.58) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL8971237 0.88 SIGMAR1 (0.58) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL8971363 0.88 SIGMAR1 (0.58) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL8970702 0.88 SIGMAR1 (0.58) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL9090508 0.85 SIGMAR1 (0.57) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL9617922 0.84 SLC6A4 (0.50) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A
SCHEMBL8970690 0.84 SLC6A4 (0.61) SLC6A4SIGMAR1SLC6A2SLC6A3HTR1A

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