SCHEMBL6171373

SCHEMBL6171373

CCOC(=O)C(C)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.40
FPR2 P25090 7/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
NUDT1 P36639 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL1362893 0.83 FPR2 (0.46) ALDH1A1FPR2MMP1MMP3MMP7
SCHEMBL23890513 0.79 ADRA2A (0.45) ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL6267722 0.78 KMT2A (0.55) ALDH1A1GAAKMT2ATSHRFPR2
SCHEMBL27693248 0.78 FPR2 (0.44) ALDH1A1FPR2MMP1MMP3MMP7
SCHEMBL6448258 0.77 FPR2 (0.43) ALDH1A1FPR2MMP1MMP3MMP7
SCHEMBL28626525 0.77 FPR2 (0.43) ALDH1A1FPR2MMP1MMP3MMP7
SCHEMBL570524 0.77 ADRA2A (0.47) ALDH1A1FPR2MMP1MMP3MMP7
SCHEMBL5460567 0.75 CSNK1A1 (0.44) ALDH1A1FPR2MMP1MMP3MMP7
Bromide SCHEMBL28219788 0.75 ADRA2A (0.46) ALDH1A1FPR2MMP1MMP3MMP7
Hydrochloric Acid SCHEMBL28220351 0.75 ADRA2A (0.46) ALDH1A1FPR2MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966446-B1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER LAMBERT CO (US) 2005-10-19 EP disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
CN-1033995-A 4 (5)-imidazoles that suppress aromatase enzyme FARMOS OY (FI) 1989-07-19 CN disclosed