SCHEMBL22019330

SCHEMBL22019330

Cc1ccc2c(c1)[C@@H](C)C(C)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
PTPN7 P35236 2/20 0.38
MEN1 O00255 1/20 0.38
GAPDH P04406 1/20 0.38
POLB P06746 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
BRCA1 P38398 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13174799 1.00 HTR2C (0.40) HTR2CGAAKDM4EALDH1A1HPGD
SCHEMBL29058154 0.78 KDM4E (0.40) HTR2CGAAKDM4EALDH1A1HPGD
SCHEMBL21317798 0.78 HTR2A (0.39) HTR2CKDM4EALDH1A1KMT2AMAPT
SCHEMBL7038904 0.78 CHRNB2 (0.35) ALDH1A1CHRNB2CHRNA4ARNR3C1
SCHEMBL14044099 0.76 PTPN7 (0.37) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13831889 0.75 KIF11 (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20991135 0.75 HTR2C (0.44) HTR2CGAAKDM4EALDH1A1HPGD
SCHEMBL11697201 0.75 HSPA1A (0.42) HTR2CGAAKDM4EALDH1A1HSD17B10
SCHEMBL14475657 0.75 KIF11 (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18269674 0.71 HTR5A (0.41) GAAKDM4EALDH1A1HPGDKMT2A

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed