SCHEMBL8401634

SCHEMBL8401634

CC1CC(=O)N(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
NOTUM Q6P988 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
KDM1A O60341 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
GSK3B P49841 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
SCN9A Q15858 1/20 0.36
DTYMK P23919 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
CDK1 P06493 1/20 0.36
DDB1 Q16531 1/20 0.35

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
SCHEMBL4994224 0.84 BCHE (0.48) BCHEKDM1AGPR119GSK3BKDM4E
SCHEMBL26628082 0.80 BCHE (0.52) BCHENOTUMOPRM1OPRK1OPRL1
SCHEMBL31274704 0.80 BCHE (0.52) BCHENOTUMOPRM1OPRK1OPRL1
SCHEMBL8016162 0.77 NOTUM (0.63) BCHENOTUMKDM1AGPR119HDAC1
SCHEMBL30828978 0.76 BCHE (0.51) BCHEKDM1AGPR119HDAC1HDAC6
SCHEMBL29541811 0.75 NOTUM (0.62) BCHENOTUMKDM1AGPR119HDAC1
SCHEMBL2419240 0.75 NOTUM (0.62) BCHENOTUMKDM1AGPR119HDAC1
SCHEMBL6650008 0.75 BCHE (0.43) BCHENOTUMKDM1ASCN9AMEN1
SCHEMBL6648372 0.75 KDM1A (0.54) BCHENOTUMKDM1AGPR119HDAC1
SCHEMBL6137592 0.75 BCHE (0.47) BCHEKDM1AGPR119KDM4EPKM

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
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed