SCHEMBL7216173

SCHEMBL7216173

C1=C(c2ccccc2)CC2CCCC1N2

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.68
CHRNA4 P43681 3/20 0.68
P2RY14 Q15391 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35

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 0.89 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL12093045 0.89 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL18689619 0.88 CHRNB2 (0.65) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7216185 0.80 CHRNB2 (0.53) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL6573562 0.76 CHRNB2 (0.50) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7809874 0.72 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL6214667 0.72 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14
SCHEMBL6993886 0.72 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL18111494 0.71 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL16158125 0.71 CHRNB2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984966-B1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH AS (DK) 2003-01-29 EP disclosed