SCHEMBL8908474

SCHEMBL8908474

Cc1ccc2[nH]cc(C[C@H](NC(=O)[C@H](CC(C)C)NCP(=O)(OCc3ccccc3)OCc3ccccc3)C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 5/20 0.56
ERAP1 Q9NZ08 5/20 0.56
IL1RN P18510 4/20 0.56
LNPEP Q9UIQ6 2/20 0.52
TACR1 P25103 7/20 0.51
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ECE1 P42892 1/20 0.47
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
NMBR P28336 1/20 0.46

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
SCHEMBL8200511 0.94 KDM4E (0.51) ERAP2ERAP1IL1RNGAAECE1
SCHEMBL8200899 0.85 ERAP1 (0.67) ERAP2ERAP1IL1RNLNPEPTACR1
SCHEMBL7313675 0.85 ECE1 (0.61) ERAP2ERAP1IL1RNECE1
SCHEMBL8210882 0.79 ECE1 (0.52) ERAP2ERAP1GAAECE1
SCHEMBL7304271 0.79 ERAP2 (0.51) ERAP2ERAP1IL1RNECE1
SCHEMBL7313702 0.78 ECE1 (0.61) ERAP2ERAP1IL1RNECE1
SCHEMBL7310121 0.76 ERAP1 (0.63) ERAP2ERAP1IL1RNLNPEPECE1
SCHEMBL27435445 0.75 IL1RN (0.55) ERAP2ERAP1IL1RNMAPTECE1
SCHEMBL27435446 0.75 IL1RN (0.55) ERAP2ERAP1IL1RNMAPTECE1
SCHEMBL27458142 0.75 ERAP2 (0.67) ERAP2ERAP1IL1RNLNPEPTACR1

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
EP-0675890-B1 CONDENSED BENZO(D)ISOXAZOLE DERIVATIVES AND THEIR USE AS PSYCHOACTIVE AGENTS BRITISH TECH GROUP (GB) 1997-04-09 EP disclosed