SCHEMBL7019508

SCHEMBL7019508

COc1c[c]cc(NC(=O)OCC=C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.41
▸ MTNR1B P49286 2/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TTR P02766 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
SCHEMBL7013922 0.85 KMT2A (0.43) MTNR1BKMT2APOLBLMNATP53
SCHEMBL7015364 0.84 TRPV1 (0.43) TRPV1KMT2ALMNANPC1MAPK1
SCHEMBL7019000 0.84 TRPV1 (0.45) TRPV1KMT2ALMNAMAPK1KDM4E
SCHEMBL7011306 0.80 TRPV1 (0.45) TRPV1KMT2ALMNATP53NPSR1
SCHEMBL7016543 0.78 SMN1; SMN2 (0.56) MTNR1BKMT2APOLBLMNATP53
SCHEMBL7016269 0.76 PTGIR (0.45) MTNR1BKMT2ANPC1KDM4ESMN1; SMN2
SCHEMBL7020328 0.76 TRPV1 (0.45) TRPV1KMT2ALMNATP53NPC1
SCHEMBL7017831 0.74 NPC1 (0.48) MTNR1BKMT2APOLBLMNANPC1
SCHEMBL21268155 0.73 ALDH1A1 (0.39) KMT2APOLBLMNANPC1MAPK1
SCHEMBL7016251 0.73 KMT2A (0.41) KMT2APOLBLMNATP53NPC1

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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