SCHEMBL26428019

SCHEMBL26428019

COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.47
MLNR O43193 5/20 0.46
CYP3A4 P08684 4/20 0.46
S1PR5 Q9H228 2/20 0.45
S1PR1 P21453 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
GBA1 P04062 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL26427998 1.00 FUCA1 (0.47) FUCA1MLNRCYP3A4S1PR5S1PR1
SCHEMBL22530421 1.00 FUCA1 (0.47) FUCA1MLNRCYP3A4S1PR5S1PR1
SCHEMBL26428016 1.00 FUCA1 (0.47) FUCA1MLNRCYP3A4S1PR5S1PR1
SCHEMBL30419036 0.86 S1PR5 (0.52) FUCA1MLNRCYP3A4S1PR5S1PR1
SCHEMBL23464746 0.81 MEN1 (0.46) FUCA1S1PR5S1PR1MEN1KMT2A
SCHEMBL2706345 0.81 MEN1 (0.46) FUCA1S1PR5S1PR1MEN1KMT2A
SCHEMBL203039 0.81 MEN1 (0.46) FUCA1S1PR5S1PR1MEN1KMT2A
SCHEMBL3522693 0.80 FUCA1 (0.55) FUCA1MLNRCYP3A4S1PR5S1PR1
SCHEMBL4279682 0.80 FUCA1 (0.55) FUCA1MLNRCYP3A4S1PR5S1PR1
SCHEMBL3522692 0.80 FUCA1 (0.55) FUCA1MLNRCYP3A4S1PR5S1PR1

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-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed