SCHEMBL23715110

SCHEMBL23715110

CC1(Cl)C(=O)CC1(C)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ CTSD P07339 1/20 0.36
▸ MAOB P27338 3/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL23704878 0.87 CHRNA1 (0.40) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL23705409 0.73 HCAR3 (0.43) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL9918032 0.67 OPRD1 (0.44) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL23715111 0.67 CHRNA1 (0.45) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL8122310 0.66 MEN1 (0.38) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL28239960 0.65 ALDH1A1 (0.44) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL22306040 0.65 BACE1 (0.47) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL26394913 0.65 CHRNA1 (0.42) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL16383426 0.65 CHRNA1 (0.37) HCAR3HCAR2ALDH1A1CHRNA1CHRNG
SCHEMBL14940053 0.65 S100A4 (0.43) HCAR3HCAR2ALDH1A1UTS2RBACE1

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-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 — — WO disclosed
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