SCHEMBL9321850

SCHEMBL9321850

COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@H]1Cc1ccccc1F

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.76
CACNA1F O60840 1/20 0.59
CHRM5 P08912 1/20 0.59
CACNA1D Q01668 1/20 0.59
CACNA1S Q13698 1/20 0.59
CACNA1C Q13936 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
GPR65 Q8IYL9 1/20 0.59
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9321863 1.00 TACR1 (0.76) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322696 0.89 TACR1 (0.67) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322680 0.89 TACR1 (0.67) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9743578 0.87 TACR1 (0.76) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9323260 0.86 TACR1 (0.66) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322688 0.85 TACR1 (0.70) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9743147 0.85 TACR1 (0.64) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322903 0.82 TACR1 (0.60) TACR1CYP2D6
SCHEMBL9322906 0.82 TACR1 (0.60) TACR1CYP2D6
SCHEMBL9322896 0.82 TACR1 (0.60) TACR1CYP2D6

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-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP claimed