SCHEMBL9322646

SCHEMBL9322646

COc1ccc(N(C)C2C3CCN(CC3)C2C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.48
MRGPRX1 Q96LB2 2/20 0.44
CYP2D6 P10635 1/20 0.41
CACNA1F O60840 1/20 0.38
CHRM5 P08912 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
HPGD P15428 1/20 0.35

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
SCHEMBL9742255 1.00 TACR1 (0.48) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9767457 1.00 TACR1 (0.48) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9322681 0.89 TACR1 (0.61) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9322730 0.82 TACR1 (0.57) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9741775 0.82 TACR1 (0.57) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9322833 0.80 TACR1 (0.58) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9325071 0.77 TACR1 (0.58) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322973 0.77 TACR1 (0.60) TACR1MRGPRX1CYP2D6CACNA1FCHRM5
SCHEMBL9323238 0.76 TACR1 (0.57) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322840 0.74 TACR1 (0.59) TACR1MRGPRX1CYP2D6CACNA1FCHRM5

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 disclosed