SCHEMBL6966149

SCHEMBL6966149

O=C1c2cc(Cl)ccc2OCOc2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
TSHR P16473 2/20 0.53
PKM P14618 1/20 0.53
S100A4 P26447 2/20 0.48
CYP19A1 P11511 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL22049536 0.82 MAOB (0.57) MAOBS100A4CYP19A1NPC1RAB9A
SCHEMBL8797952 0.79 MAPT (0.68) MAOBNPC1RAB9AGAAKMT2A
SCHEMBL3553595 0.78 MAOB (0.57) MAOBS100A4CYP19A1NPC1RAB9A
SCHEMBL29826933 0.76 MAOB (0.56) MAOBNPC1RAB9AGAAKMT2A
SCHEMBL409478 0.76 MAOB (0.56) MAOBNPC1RAB9AGAAKMT2A
SCHEMBL10524736 0.76 S100A4 (0.59) MAOBS100A4CYP19A1HSP90AA1
SCHEMBL69423 0.76 MAOB (0.55) MAOBPKMS100A4CYP19A1NPC1
SCHEMBL27500245 0.73 S100A4 (0.50) MAOBTSHRS100A4CYP19A1KMT2A
SCHEMBL30451384 0.73 MAOB (0.50) MAOBPKMS100A4CYP19A1NPSR1
SCHEMBL69670 0.73 MAOB (0.50) MAOBPKMS100A4CYP19A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6017915-A Heterocyclic compounds NOVO NORDISK A/S (DK) 2000-01-25 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1997011071-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-03-27 WO disclosed