SCHEMBL31020187

SCHEMBL31020187

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 4/20 0.43
MALT1 Q9UDY8 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
IDO1 P14902 1/20 0.42
HTT P42858 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL23516703 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL21633710 0.89 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL30360004 0.83 NPC1 (0.47) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL23516612 0.83 NPC1 (0.47) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL23516554 0.82 MALT1 (0.40) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL23496538 0.82 HTT (0.42) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL31020180 0.82 HTT (0.42) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL23496549 0.81 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL31020184 0.81 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL28571128 0.80 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTMALT1

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