SCHEMBL31020184

SCHEMBL31020184

NC1CCn2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
FADS1 O60427 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MALT1 Q9UDY8 3/20 0.46
HPGD P15428 1/20 0.45
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
IDO1 P14902 1/20 0.44
SLC2A1 P11166 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL23496549 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL28571128 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL21633710 0.84 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL31020187 0.81 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL23516703 0.81 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL31020180 0.79 HTT (0.42) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL23496538 0.79 HTT (0.42) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL30360009 0.75 NPSR1 (0.55) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL28568151 0.75 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL23516612 0.73 NPC1 (0.47) KMT2AMEN1ALDH1A1MAPTNPC1

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
CN-112638376-B Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolidines, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2024-08-02 CN disclosed