SCHEMBL7795534

SCHEMBL7795534

N#Cc1ccccc1-c1ccc(CBr)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
CYP19A1 P11511 3/20 0.40
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PPARG P37231 1/20 0.36
TSHR P16473 3/20 0.35
TRPA1 O75762 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1890858 0.87 CSNK2A1 (0.40) ESR2PPARGTSHRTRPA1ALDH1A1
SCHEMBL1374344 0.87 TSHR (0.43) ESR2USP8USP7PPARGTSHR
SCHEMBL1369687 0.87 CHKA (0.42) ESR2CYP19A1USP8USP7GABRG2
SCHEMBL1838707 0.84 CYP19A1 (0.55) ESR2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL1895188 0.83 PGR (0.42)
SCHEMBL9427919 0.82 LOXL2 (0.42) ESR2CYP19A1USP8USP7GABRG2
SCHEMBL1372821 0.81 ALDH1A1 (0.40) CYP19A1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL357 0.80 ESR2 (0.59) ESR2CYP19A1GABRG2GABRB3GABRA5
SCHEMBL29175248 0.80 CYP19A1 (0.46) ESR2CYP19A1CHKA
SCHEMBL31772593 0.80 ESR2 (0.59) ESR2CYP19A1GABRG2GABRB3GABRA5

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-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-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-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP 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