SCHEMBL4409740

SCHEMBL4409740

COC(=O)c1ccc(F)c2oc(N3C(C)CN(C(=O)OC(C)(C)C)CC3C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.43
GPR119 Q8TDV5 3/20 0.37
IDO1 P14902 1/20 0.35
NAMPT P43490 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TRPV3 Q8NET8 3/20 0.35
POLR1A O95602 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
NR1H2 P55055 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 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
SCHEMBL1005979 1.00 USP30 (0.43) USP30GPR119IDO1NAMPTHDAC1
SCHEMBL1004688 0.90 USP30 (0.43) USP30GPR119IDO1NPSR1HDAC6
SCHEMBL1005157 0.83 HTR3A (0.48) GPR119NAMPTPOLR1A
SCHEMBL1005158 0.83 HTR3A (0.48) GPR119NAMPTPOLR1A
SCHEMBL1004469 0.83 HTR3A (0.48) GPR119NAMPTPOLR1A
SCHEMBL1004355 0.83 HTR3A (0.48) GPR119NAMPTPOLR1A
SCHEMBL1059014 0.83 HTR3A (0.55) USP30
SCHEMBL1059013 0.83 HTR3A (0.55) USP30
SCHEMBL1005054 0.81 HTR3A (0.55)
SCHEMBL1003564 0.80 STS (0.37) USP30GPR119POLR1AMAPTEED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed