SCHEMBL16684597

SCHEMBL16684597

CC(C)N=C1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.47
CHRM2 P08172 13/20 0.47
CHRM3 P20309 5/20 0.43
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16684596 1.00 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL9601822 0.76 CHRNB2 (0.41) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL8866479 0.76 CHRNB2 (0.41) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL7280510 0.76 CHRNB2 (0.41) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL7280516 0.76 CHRNB2 (0.41) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL8866477 0.76 CHRNB2 (0.41) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL7290562 0.76 CHRNB2 (0.41) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16684570 0.76 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16693090 0.76 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16693112 0.75 CHRM1 (0.44) CHRM1CHRM2CHRM3

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
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed