SCHEMBL24005407

SCHEMBL24005407

c1ccc(C2COCCN2)c(C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
HTR2C P28335 6/20 0.36
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
TACR1 P25103 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRL1 P41146 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL5054635 0.79 HTR2A (0.37) PRKACAPRKACGPRKACBHTR2CHTR2B
SCHEMBL29748038 0.79 HTR2C (0.43) PRKACAPRKACGPRKACBHTR2CSLC6A2
SCHEMBL30463847 0.79 PRKACA (0.45) PRKACAPRKACGPRKACBSLC6A2SLC6A3
SCHEMBL23136984 0.79 PRKACA (0.45) PRKACAPRKACGPRKACBSLC6A2SLC6A3
SCHEMBL20319860 0.79 TAAR1 (0.38) PRKACAPRKACGPRKACBHTR2CSLC6A2
SCHEMBL11138422 0.79 HTR2C (0.43) PRKACAPRKACGPRKACBHTR2CSLC6A2
Bromide SCHEMBL27223601 0.78 KDM1A (0.37) PRKACAPRKACGPRKACBHTR2CSLC6A2
Bromide SCHEMBL27232096 0.78 KDM1A (0.37) PRKACAPRKACGPRKACBHTR2CSLC6A2
Hydrochloric Acid SCHEMBL31444540 0.78 HTR2C (0.39) PRKACAPRKACGPRKACBHTR2CHTR2B
Hydrochloric Acid SCHEMBL31444535 0.78 HTR2A (0.39) PRKACAPRKACGPRKACBHTR2COPRL1

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
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed