SCHEMBL7749150

SCHEMBL7749150

CC(C)(C)OC(=O)N1CCC(n2nc(-c3cc(Cl)c(NC(=O)O)c4c3OCCO4)oc2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
MAPT P10636 3/20 0.36
USP30 Q70CQ3 2/20 0.36
GPR55 Q9Y2T6 4/20 0.35
NR3C1 P04150 4/20 0.35
HTR4 Q13639 2/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL6962731 1.00 MDM2 (0.37) MDM2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL8308257 0.95 NR3C1 (0.39) PIK3CAPIK3CGMAPTGPR55NR3C1
SCHEMBL6956244 0.79 FSCN1 (0.33) GPR55HTR4CNR1
SCHEMBL8309066 0.78 HTR4 (0.46) GPR55HTR4THRB
SCHEMBL8305942 0.77 TP53 (0.40) MAPTGPR55NR3C1CNR1CNR2
SCHEMBL8303784 0.76 NR3C1 (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6956182 0.69 BCHE (0.36) MAPTGPR55HTR4CNR1
SCHEMBL8517107 0.67 TP53 (0.41) GPR55CNR1TP53
SCHEMBL8303718 0.67 HTR4 (0.52) HTR4
SCHEMBL23273826 0.66 MEN1 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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-6248757-B1 ANTISEROTONINE AGENTS SANOFI-SYNTHELABO (FR) 2001-06-19 US disclosed