SCHEMBL17843152

SCHEMBL17843152

O=C(NC1C2CCC(CC2)[N+]12CC2)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.54
F10 P00742 2/20 0.45
HTR3A P46098 5/20 0.44
PRSS12 P56730 1/20 0.41
DHPS P49366 1/20 0.41

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
SCHEMBL8306899 0.75 CHRNA7 (0.58) CHRNA7F10HTR3A
SCHEMBL17842890 0.72 CHRNA7 (0.63) CHRNA7HTR3A
SCHEMBL19739754 0.70 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL17843029 0.70 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL19739695 0.70 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL18264044 0.70 CHRNA1 (0.59) CHRNA7F10
SCHEMBL18264045 0.70 CHRNA1 (0.59) CHRNA7F10
SCHEMBL11173925 0.70 DHPS (0.52) CHRNA7F10PRSS12DHPS
Hydrochloric Acid SCHEMBL19741138 0.70 CHRNA7 (0.98) CHRNA7HTR3A
SCHEMBL19739725 0.70 CHRNA7 (1.00) CHRNA7HTR3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233087-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2017-10-25 EP claimed
WO-2016100184-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed