SCHEMBL24658686

SCHEMBL24658686

CC[C@H]1C[C@H](NC(=O)CN(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
FASN P49327 2/20 0.32
HPGD P15428 2/20 0.32
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
SMO Q99835 2/20 0.31
GAA P10253 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24658467 0.81 MAOA (0.38) MAOAFASNSMOGAAALDH1A1
SCHEMBL24658827 0.80 MAOA (0.35) MAOAFASNEPHX1SMO
SCHEMBL24658658 0.79 HPGD (0.34) HPGDEPHX1KMT2AGAAALDH1A1
SCHEMBL4191188 0.78 MAOA (0.47) MAOAHPGDEPHX1KMT2ASMO
SCHEMBL24658739 0.76 MAOA (0.35) MAOAFASNSMO
SCHEMBL14631213 0.76 ALDH1A1 (0.33) HPGDEPHX1EPHX2ALDH1A1
SCHEMBL18361886 0.74 FASN (0.39) MAOAFASNEPHX1KMT2A
SCHEMBL24973923 0.74 RAB9A (0.36) HPGDEPHX1EPHX2ALDH1A1
SCHEMBL12508713 0.74 ATM (0.50) KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL18629569 0.73 NPSR1 (0.56) HPGDEPHX1KMT2AEPHX2ALDH1A1

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-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed