SCHEMBL24671706

SCHEMBL24671706

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
DRD1 P21728 9/20 0.48
DRD5 P21918 8/20 0.48
SLC6A4 P31645 1/20 0.45
DRD2 P14416 6/20 0.41
DRD3 P35462 6/20 0.41
DRD4 P21917 4/20 0.41

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
SCHEMBL12628112 0.86 MAOA (0.55) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL24671534 0.82 OGA (0.41)
SCHEMBL20079837 0.82 ALDH1A1 (0.40)
SCHEMBL1619374 0.81 MAOA (0.52) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL26227089 0.80 DRD1 (0.47) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL12608372 0.77 DRD1 (0.49) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL21393017 0.75 MAOA (0.59) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL21362950 0.73 HRH3 (0.46) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL2616785 0.73 MAOA (0.61) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL25444508 0.72 MAOA (0.50) MAOAMAOBDRD1DRD5SLC6A4

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