SCHEMBL23797644

SCHEMBL23797644

CCCCC1CCN(C(C)CC)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GNAO1 P09471 2/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 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
SCHEMBL7706841 0.84 CYP1A2 (0.50) CYP1A2MAPTPOLBHPGDHRH3
SCHEMBL24040238 0.81 HRH3 (0.40) HRH3
SCHEMBL23612752 0.79 HRH3 (0.41) HRH3
SCHEMBL23625656 0.78 CYP1A2 (0.43) CYP1A2MAPTPOLBHPGDHRH3
SCHEMBL10218782 0.78 CYP1A2 (0.53) CYP1A2MAPTPOLBHPGDHRH3
SCHEMBL19087091 0.78 CYP1A2 (0.39) CYP1A2MAPTPOLBHPGDHRH3
SCHEMBL23175630 0.78 CYP1A2 (0.53) CYP1A2MAPTPOLBHPGDHRH3
SCHEMBL27562576 0.77 MAPT (0.62) CYP1A2MAPTPOLBHPGDGNAO1
SCHEMBL22757296 0.77 CYP1A2 (0.42) CYP1A2MAPTPOLBHPGDHRH3
SCHEMBL19083183 0.77 CYP1A2 (0.42) CYP1A2MAPTPOLBHPGDHRH3

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-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed