SCHEMBL9322808

SCHEMBL9322808

CCCc1ccccc1CC1C(NCc2ccccc2)C2CCN1CC2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.60
CACNA1F O60840 1/20 0.41
CHRM5 P08912 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
GPR65 Q8IYL9 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
SCHEMBL9323198 1.00 TACR1 (0.60) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9767402 0.86 TACR1 (0.47) TACR1
SCHEMBL5203589 0.83 TACR1 (0.69) TACR1
SCHEMBL9767401 0.83 TACR1 (0.59) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322896 0.83 TACR1 (0.60) TACR1
SCHEMBL9322903 0.83 TACR1 (0.60) TACR1
SCHEMBL9322906 0.83 TACR1 (0.60) TACR1
Hydrochloric Acid SCHEMBL9323145 0.80 TACR1 (0.56) TACR1
SCHEMBL9321890 0.80 TACR1 (0.56) TACR1
SCHEMBL9322878 0.79 TACR1 (0.73) TACR1CACNA1FCHRM5CACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP claimed
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP disclosed
US-5162339-A Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-11-10 US disclosed
EP-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 EP disclosed
WO-1990005525-A1 QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1990-05-31 WO disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO disclosed