SCHEMBL8223129

SCHEMBL8223129

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
USP2 O75604 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
STS P08842 2/20 0.51
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
UTS2R Q9UKP6 2/20 0.49
KDM4E B2RXH2 2/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CRHBP P24387 1/20 0.48
HTT P42858 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL4553585 0.88 STS (0.52) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL4786221 0.86 CNR1 (0.56) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL12713102 0.85 STS (0.53) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL14401199 0.85 STS (0.53) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL23535949 0.84 GPR119 (0.56) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL4334254 0.84 MAPT (0.56) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL12713099 0.83 MEN1 (0.52) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL1093328 0.83 MAPT (0.51) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL2191425 0.83 GPR119 (0.57) MEN1KMT2AHPGDHSD17B10USP2
SCHEMBL29805245 0.83 GPR119 (0.57) MEN1KMT2AHPGDHSD17B10USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO disclosed