SCHEMBL25859632

SCHEMBL25859632

CC(C(=O)c1ccc2c(c1)OCO2)N(C)C(=O)[C@@H](N)CCCN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.42
TAS1R1 Q7RTX1 6/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL25859934 1.00 TAS1R3 (0.42) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25860269 1.00 TAS1R3 (0.42) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25863012 0.97 TAS1R3 (0.42) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL30790405 0.97 TAS1R3 (0.42) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25863041 0.88 HPGD (0.45) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25859638 0.87 HPGD (0.43) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25859944 0.87 HPGD (0.43) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25860293 0.87 HPGD (0.43) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25859939 0.85 TAS1R3 (0.47) TAS1R3TAS1R1HPGDALDH1A1MAPK1
SCHEMBL25863025 0.85 TAS1R3 (0.47) TAS1R3TAS1R1HPGDALDH1A1MAPK1

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-2023137453-A1 PRODRUGS OF 3,4-METHYLENEDIOXY-N-METHCATHINONE AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed