SCHEMBL25908533

SCHEMBL25908533

CN[C@H]1CC[C@H](OC(=O)[C@@](O)(c2cccs2)c2ccc(-c3ccccc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.49
CHRM2 P08172 16/20 0.49
CHRM1 P11229 14/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
ADRA1A P35348 3/20 0.48
HRH1 P35367 3/20 0.48
OPRK1 P41145 3/20 0.48
KCNH2 Q12809 3/20 0.48
TSPO P30536 1/20 0.48
PDE3A Q14432 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
ADRA2A P08913 2/20 0.43
ADRA2C P18825 2/20 0.43
TACR1 P25103 2/20 0.43

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
SCHEMBL25908478 1.00 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1743575 0.89 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1743574 0.89 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907784 0.86 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25906984 0.86 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907736 0.86 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908838 0.85 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907953 0.85 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908874 0.85 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908710 0.85 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5

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-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed