SCHEMBL8607607

SCHEMBL8607607

COc1ccc2cc(O)cc(NC(C)=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MTNR1A P48039 8/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MTNR1B P49286 6/20 0.48
ALDH1A1 P00352 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DYRK1A Q13627 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL30594489 0.81 MTNR1A (0.58) HTTLMNATSHRHSD17B1HSD17B2
SCHEMBL745297 0.81 MTNR1A (0.58) HTTLMNATSHRHSD17B1HSD17B2
SCHEMBL30567224 0.78 MAPT (0.62) HTTLMNATSHRHSD17B1HSD17B2
SCHEMBL2855386 0.78 MAPT (0.62) HTTLMNATSHRHSD17B1HSD17B2
SCHEMBL9464673 0.76 CDC25B (0.55) LMNAMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL8884808 0.76 MTNR1A (0.74) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL31387888 0.75 KDM4E (0.59) HTTLMNAMTNR1AMAPK1HSD17B10
SCHEMBL8662697 0.75 CASP6 (0.59) HTTLMNATSHRHSD17B1HSD17B2
SCHEMBL2856689 0.74 LMNA (0.55) HTTLMNATSHRHSD17B1HSD17B2
SCHEMBL6247493 0.74 MTNR1A (0.72) MTNR1AMTNR1BHTR2CHTR2B

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-0662471-B1 Naphthalene derivatives with affinity to the receptors of melatonine, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-03-11 EP disclosed
EP-0662471-A2 Naphthalene derivatives with affinity to the receptors of melatonine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-07-12 EP disclosed