SCHEMBL6609867

SCHEMBL6609867

CCOC(=O)c1ccccc1-n1cccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HCRTR1 O43613 8/20 0.53
HCRTR2 O43614 8/20 0.53
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TBXAS1 P24557 1/20 0.45
HPGD P15428 2/20 0.45
PDE4A P27815 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
OPRM1 P35372 1/20 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
SCHEMBL9342233 0.88 TSHR (0.49) TSHRHCRTR1HCRTR2ALDH1A1HSD17B10
SCHEMBL27886902 0.84 TSHR (0.46) TSHRHCRTR1HCRTR2ALDH1A1HSD17B10
SCHEMBL27787386 0.84 MYC (0.54) TSHRHCRTR1HCRTR2ALDH1A1HSD17B10
SCHEMBL29551266 0.81 HCRTR1 (0.52) TSHRHCRTR1HCRTR2ALDH1A1JAK2
SCHEMBL17793835 0.81 HCRTR1 (0.52) TSHRHCRTR1HCRTR2ALDH1A1JAK2
SCHEMBL7078820 0.80 JAK2 (0.47) TSHRHCRTR1HCRTR2ALDH1A1HSD17B10
SCHEMBL9051883 0.80 CA12 (0.60) HCRTR1HCRTR2ALDH1A1JAK2JAK3
SCHEMBL5823789 0.79 TSHR (0.54) TSHRALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL17742692 0.79 NPC1 (0.49) HCRTR1HCRTR2ALDH1A1GAAMAPT
SCHEMBL1406967 0.78 SMN1; SMN2 (0.49) TSHRALDH1A1JAK2JAK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
CN-1293663-A 2,3,4,5-tetrahydro-1H-[1,4] benzodiazepine-3-hydroxamix acids as matrix metal-protease AMERICAN CYANAMID CO (US) 2001-05-02 CN disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed