SCHEMBL4410093

SCHEMBL4410093

COC(=O)c1cc(Cl)cc2oc(N3C(C)CN(C(=O)OC(C)(C)C)CC3C)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.37
HTR3A P46098 3/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
USP30 Q70CQ3 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
BACE1 P56817 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
POLR1A O95602 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1003564 1.00 STS (0.37) STSHTR3AKCNH2TP53MAPT
SCHEMBL1003297 0.90 KMT2A (0.36) STSHTR3AKCNH2MAPTUSP30
Lithium Ion SCHEMBL1003296 0.89 GPR119 (0.37) STSHTR3AKCNH2MAPTUSP30
SCHEMBL1006680 0.88 SMARCA2 (0.42) STSTP53MAPTTHRBGPR119
SCHEMBL1006679 0.88 SMARCA2 (0.42) STSTP53MAPTTHRBGPR119
SCHEMBL1004355 0.85 HTR3A (0.48) HTR3AKCNH2GPR119POLR1A
SCHEMBL1005157 0.85 HTR3A (0.48) HTR3AKCNH2GPR119POLR1A
SCHEMBL1005158 0.85 HTR3A (0.48) HTR3AKCNH2GPR119POLR1A
SCHEMBL1004469 0.85 HTR3A (0.48) HTR3AKCNH2GPR119POLR1A
SCHEMBL4409740 0.80 USP30 (0.43) MAPTUSP30GPR119POLR1AEED

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