SCHEMBL7213565

SCHEMBL7213565

COC(c1ccc(Cl)cc1)C1NC(C)(C(C)C)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7214035 0.84 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3BRD4LMNA
SCHEMBL7219129 0.62 SMN1; SMN2 (0.35) SLC6A3GAAKMT2A
SCHEMBL14090989 0.61 SLC6A4 (0.71) SLC6A4FPR2PROKR1SLC6A2SLC6A3
SCHEMBL7214177 0.60 CA2 (0.41) LMNA
SCHEMBL7213568 0.60 NPBWR1 (0.32)
Hydrochloric Acid SCHEMBL15794108 0.59 SLC6A4 (0.97) SLC6A4FPR2PROKR1SLC6A2SLC6A3
SCHEMBL6205148 0.59 ADRB2 (0.44) SLC6A4SLC6A2SLC6A3BRD4LMNA
SCHEMBL11097122 0.58 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3
SCHEMBL17771762 0.57 ADRB2 (0.52) SLC6A4BRD4LMNA
SCHEMBL3086072 0.57 ADRB2 (0.52) SLC6A4BRD4LMNA

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
US-6504046-B1 Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-07 US disclosed
EP-1092705-A1 PROCESS FOR THE PREPARATION OF AMIDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed