SCHEMBL7809874

SCHEMBL7809874

Cc1ccc(C2=CC3CCC(C2)N3)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.55
CHRNA4 P43681 3/20 0.55
P2RY14 Q15391 1/20 0.41
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL2881954 0.82 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL12093045 0.82 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7805901 0.82 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL18111494 0.81 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL16158125 0.81 CHRNB2 (0.57) CHRNB2CHRNA4CCNT1CDK9NISCH
SCHEMBL7214949 0.80 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL15359024 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL6577750 0.79 P2RY14 (0.59) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL5194310 0.76 CHRNB2 (0.51) CHRNB2CHRNA4P2RY14
SCHEMBL5194296 0.76 CHRNB2 (0.51) CHRNB2CHRNA4P2RY14

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