SCHEMBL9325151

SCHEMBL9325151

Clc1ccc(-c2ccccc2CC2C(NCc3ccccc3)C3CCN2CC3)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.51
CHRNB2 P17787 5/20 0.44
CHRNA7 P36544 5/20 0.44
CHRNA4 P43681 5/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9322468 0.85 TACR1 (0.43) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9321956 0.85 TACR1 (0.64) TACR1
SCHEMBL9321907 0.85 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9322762 0.84 TACR1 (0.51) TACR1CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL9323145 0.83 TACR1 (0.56) TACR1
SCHEMBL9321890 0.83 TACR1 (0.56) TACR1
SCHEMBL9322963 0.82 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4BCHE
SCHEMBL9322878 0.79 TACR1 (0.73) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9324189 0.78 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4
SCHEMBL9322719 0.77 TACR1 (0.53) TACR1CHRNB2CHRNA7CHRNA4

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-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP disclosed
WO-1990005525-A1 QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1990-05-31 WO disclosed