SCHEMBL19526322

SCHEMBL19526322

CC1CCc2ccc3c(c2N1C)N(C)CCC3

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 5/20 0.32
CHRM4 P08173 5/20 0.32
CHRM1 P11229 5/20 0.32
CHRM3 P20309 4/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
INMT O95050 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
ALOX12 P18054 1/20 0.30
SRD5A1 P18405 1/20 0.30

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
SCHEMBL25093088 0.86 L3MBTL1 (0.34) MEN1GAAMAPTKMT2ACHRM2
SCHEMBL24308956 0.82 ALDH1A1 (0.47) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL10840651 0.72 HTR2C (0.42) MEN1MAPTKMT2AHTR2CHTR2B
SCHEMBL10996575 0.69 HTR2C (0.44) MEN1MAPTKMT2ACHRM2CHRM4
SCHEMBL1282300 0.68 DRD1 (0.39) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL6578810 0.68 HTR1A (0.44) CHRM2CHRM1CHRM3HTR2CHTR2B
SCHEMBL18973672 0.68 MAPT (0.37) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL20910801 0.66
SCHEMBL17049860 0.66 SIGMAR1 (0.41) SRD5A1
SCHEMBL19122209 0.66 HTR2C (0.38) MEN1MAPTKMT2ACHRM2CHRM4

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-3239156-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE OF SAME Hanwha Chemical Corporation (KR) 2017-11-01 EP disclosed