SCHEMBL7011306

SCHEMBL7011306

CC(C)=CCOC(=O)Nc1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.45
▸ SLC13A3 Q8WWT9 1/20 0.41
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MGLL Q99685 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL7016497 0.85 SLC13A3 (0.42) SLC13A3MAPTMGLLGAALMNA
SCHEMBL7019000 0.84 TRPV1 (0.45) TRPV1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5115340 0.83 KDM4E (0.46) SLC13A3MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL7015364 0.82 TRPV1 (0.43) TRPV1SLC13A3MAPTSMN1; SMN2ALDH1A1
SCHEMBL7019508 0.80 TRPV1 (0.41) TRPV1SMN1; SMN2TP53LMNAKMT2A
SCHEMBL7021855 0.80 SMN1; SMN2 (0.47) SLC13A3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL2894937 0.76 KIF11 (0.46) MAPTSMN1; SMN2TP53LMNAL3MBTL1
SCHEMBL7016001 0.76 MGLL (0.52) SLC13A3MAPTSMN1; SMN2MGLLGAA
SCHEMBL686791 0.76 RXFP1 (0.48) SLC13A3MAPTSMN1; SMN2TP53LMNA
SCHEMBL7020328 0.74 TRPV1 (0.45) TRPV1MAPTSMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 — — EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 — — US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 — — EP disclosed
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