SCHEMBL7806038

SCHEMBL7806038

COc1ccc(C2=CC3CCC(C2)N3C)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.56
SLC6A4 P31645 5/20 0.56
SLC6A3 Q01959 5/20 0.56
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HTR6 P50406 1/20 0.41
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
Fumaric Acid SCHEMBL5194331 0.89 KDM4E (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL1022681 0.88 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL1022680 0.88 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
Hydrochloric Acid SCHEMBL1022164 0.86 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL6574968 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1HTR6
SCHEMBL7215873 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL7809824 0.83 SLC6A3 (0.60) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1335541 0.81 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1021888 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL7806031 0.81 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3KMT2AHTR6

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-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP claimed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO claimed
EP-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP disclosed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO disclosed