SCHEMBL8970924

SCHEMBL8970924

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.58
HTR1A P08908 3/20 0.53
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
CNR1 P21554 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8971237 1.00 SIGMAR1 (0.58) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL9090508 0.98 SIGMAR1 (0.57) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8970701 0.95 SIGMAR1 (0.56) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8971350 0.94 SLC6A4 (0.54) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL9092165 0.94 SIGMAR1 (0.57) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL9092879 0.92 SIGMAR1 (0.60) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8970731 0.92 SLC6A4 (0.57) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8971041 0.91 SLC6A4 (0.59) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8970816 0.89 SIGMAR1 (0.60) SIGMAR1HTR1ALMNAALOX15TSHR
SCHEMBL8970633 0.89 SIGMAR1 (0.60) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3

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