SCHEMBL24671534

SCHEMBL24671534

CC(I)c1ccc2c(c1)CCN(C(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.41
HRH3 Q9Y5N1 8/20 0.40
ASIC3 Q9UHC3 1/20 0.36
ACACB O00763 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.34
HSP90AA1 P07900 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2741634 0.87 OGA (0.43) OGAHRH3ASIC3ACACBKDM4E
SCHEMBL24671706 0.82 MAOA (0.52)
SCHEMBL24817824 0.81 OGA (0.41) OGAHRH3ACACBKDM4EALDH1A1
SCHEMBL12184930 0.80 HRH3 (0.42) OGAHRH3ASIC3KDM4EALDH1A1
SCHEMBL10199349 0.80 HRH3 (0.48) OGAHRH3ASIC3KDM4EALDH1A1
SCHEMBL13499613 0.78 HRH3 (0.43) OGAHRH3ASIC3KDM4EALDH1A1
SCHEMBL24616867 0.77 HSD17B3 (0.42) OGAHRH3ASIC3KDM4EALDH1A1
SCHEMBL21361596 0.77 CARM1 (0.48) HRH3ASIC3ACACB
SCHEMBL21361477 0.77 HTR2A (0.44) HRH3ASIC3ACACBKCNH2
SCHEMBL15142196 0.77 DRD1 (0.54) HRH3

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed