SCHEMBL1873

SCHEMBL1873

Cc1ccc(-c2ccccc2C#N)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
AR P10275 3/20 0.47
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PTGES O14684 1/20 0.41
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA1 P14867 4/20 0.40
GABRA2 P47869 4/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL21188814 0.81 TSHR (0.55) ESR2ARTSHRTRPA1ALDH1A1
SCHEMBL6218205 0.80 ESR2 (0.50) ESR2ARTRPA1ALDH1A1CYP1A2
SCHEMBL31375945 0.80 AR (0.61) ESR2ARTSHRTRPA1PGR
SCHEMBL29662920 0.80 ESR2 (0.50) ESR2ARTSHRTRPA1ALDH1A1
SCHEMBL6562393 0.80 ESR2 (0.50) ESR2ARTSHRTRPA1ALDH1A1
SCHEMBL31375957 0.80 AR (0.61) ESR2ARTSHRTRPA1PGR
SCHEMBL1372803 0.80 ALOX5AP (0.52) ESR2ARTSHRTRPA1ALDH1A1
SCHEMBL12999319 0.78 ALDH1A1 (0.50) ARTSHRTRPA1ALDH1A1CYP1A2
SCHEMBL2404 0.78 ESR2 (0.47) ESR2ARTSHRTRPA1ALDH1A1
SCHEMBL20405268 0.77 ESR2 (0.63) ESR2ARTSHRTRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5672596-A ANIMAL GROWTH CONTROLLERS MERCK & CO., INC. (US) 1997-09-30 US disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed