SCHEMBL30337087

SCHEMBL30337087

O=C(O)N1CCN(Cc2ccc3ccccc3c2)CC1(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
FAAH O00519 1/20 0.48
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
GRM2 Q14416 1/20 0.46
NPC1 O15118 1/20 0.46
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43

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
SCHEMBL3602106 0.73 KMT2A (0.71) KMT2AFAAHMEN1PKMSIGMAR1
SCHEMBL4750742 0.72 KMT2A (1.00) KMT2AFAAHMEN1PKMSIGMAR1
SCHEMBL30218457 0.71 KMT2A (0.71) KMT2AFAAHMEN1PKMSIGMAR1
SCHEMBL21044068 0.71 KMT2A (0.71) KMT2AFAAHMEN1PKMSIGMAR1
SCHEMBL27999347 0.71 KMT2A (0.89) KMT2AFAAHMEN1PKMMC4R
SCHEMBL443388 0.69
SCHEMBL443387 0.69
SCHEMBL14813579 0.68 GAA (0.50) KMT2AMEN1SIGMAR1MC4RKDM4E
SCHEMBL1633895 0.68 KDM4E (0.51) KMT2AFAAHMEN1SIGMAR1KDM4E
SCHEMBL1703971 0.68 ALDH1A1 (0.51) KMT2AFAAHMEN1SIGMAR1NPC1

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-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 CN disclosed