SCHEMBL23745172

SCHEMBL23745172

CC(CC=N)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PGR P06401 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SLC2A1 P11166 2/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA1D P25100 1/20 0.37
ACP3 P15309 1/20 0.37

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
SCHEMBL5883541 0.82 ALDH1A1 (0.42) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL17691229 0.79 PNMT (0.44) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL199109 0.77 HDAC4 (0.53) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL26239181 0.77 HDAC4 (0.53) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL13158651 0.77 ALDH1A1 (0.46) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL25819608 0.77 HDAC4 (0.53) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL15842196 0.77 ALDH1A1 (0.46) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL15866411 0.77 ALDH1A1 (0.46) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL25392233 0.77 TAAR1 (0.52) AOC3ALDH1A1
SCHEMBL16204365 0.76 TAAR1 (0.57) PNMTAOC3ALDH1A1HPGDPGR

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-2021158464-A1 REVERSE AMIDE-LINKED MELANOCORTIN RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 WO disclosed