SCHEMBL6960653

SCHEMBL6960653

Clc1ccc2c(c1)C(=CCCBr)c1cc(Cl)ccc1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.41
▸ MAOB P27338 4/20 0.37
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ AR P10275 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ TBXA2R P21731 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ MLNR O43193 1/20 0.34

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
SCHEMBL6968239 0.78 HTR2B (0.49) HTR2BNPC1RAB9AKMT2ATBXA2R
SCHEMBL7473430 0.76 HTR2B (0.71) HTR2BKMT2ATBXA2RTDP1MEN1
SCHEMBL7467768 0.73 HRH1 (0.51) HTR2BKMT2ATBXA2RTDP1MEN1
SCHEMBL7467772 0.73 HRH1 (0.51) HTR2BKMT2ATBXA2RTDP1MEN1
SCHEMBL11202871 0.71 CYP3A4 (0.50) HTR2BNPC1RAB9AKMT2ATBXA2R
SCHEMBL11202872 0.71 CYP3A4 (0.50) HTR2BNPC1RAB9AKMT2ATBXA2R
SCHEMBL6966149 0.70 MAOB (0.55) MAOBNPC1RAB9AARGAA
SCHEMBL7471919 0.68 HTR2B (0.75) HTR2BKMT2ATBXA2RTDP1MEN1
SCHEMBL6738335 0.67 TSHR (0.50) HTR2BKMT2ATBXA2RSMN1; SMN2MEN1
SCHEMBL655956 0.67 ALDH1A1 (0.56) HTR2BRAB9AKMT2AMEN1MAPT

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 11 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-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 — — EP disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 — — EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 — — WO disclosed
WO-1997011071-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-03-27 — — WO disclosed
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