SCHEMBL7805901

SCHEMBL7805901

COc1ccc(C2=CC3CCC(C2)N3)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RY14 Q15391 1/20 0.39

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
SCHEMBL1022337 0.87 CHRNB2 (0.52) CHRNB2CHRNA4CCNT1CDK9P2RY14
SCHEMBL1022339 0.87 CHRNB2 (0.52) CHRNB2CHRNA4CCNT1CDK9P2RY14
SCHEMBL7214962 0.81 CHRNB2 (0.48) CHRNB2CHRNA4CCNT1CDK9P2RY14
SCHEMBL6574854 0.81 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14
SCHEMBL6214667 0.79 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14
SCHEMBL12093045 0.78 CHRNB2 (0.67) CHRNB2CHRNA4CCNT1CDK9P2RY14
Cadaverine Tartrate SCHEMBL1023378 0.77 CHRNB2 (0.43) CHRNB2CHRNA4P2RY14
SCHEMBL6573882 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CCNT1CDK9P2RY14
SCHEMBL1267308 0.74 CCNT1 (0.48) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL2417457 0.74 CHRNB2 (0.42) CHRNB2CHRNA4CCNT1CDK9

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