SCHEMBL8971041

SCHEMBL8971041

OC(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.59
SLC6A2 P23975 4/20 0.59
SLC6A3 Q01959 4/20 0.59
SIGMAR1 Q99720 6/20 0.58
HTR1A P08908 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
CNR1 P21554 1/20 0.46
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
DRD1 P21728 1/20 0.45

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
SCHEMBL8970731 0.97 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8970673 0.96 SIGMAR1 (0.52) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8970690 0.92 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL9092085 0.91 SIGMAR1 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8970924 0.91 SIGMAR1 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL8971478 0.91 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8971237 0.91 SIGMAR1 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL9090508 0.91 SIGMAR1 (0.57) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A
SCHEMBL8971276 0.90 SIGMAR1 (0.56) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL9092879 0.90 SIGMAR1 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1HTR1A

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