SCHEMBL7791778

SCHEMBL7791778

Cc1ccc(-c2ccccc2C#N)c(C#N)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ESR2 Q92731 1/20 0.39
LMNA P02545 2/20 0.38
PTGES O14684 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GALR3 O60755 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL21189098 0.79 TSHR (0.57) TSHRESR2LMNAARKDM4E
SCHEMBL7791554 0.78 ESR2 (0.37) TSHRESR2LMNAPTGESGRIA2
SCHEMBL7795399 0.76 ESR2 (0.42) TSHRESR2PTGESGRIA2GRIA4
SCHEMBL12679722 0.76 ESR2 (0.50) TSHRESR2LMNAPTGESKDM4E
SCHEMBL23625536 0.75 TSHR (0.52) TSHRESR2ARKDM4EHPGD
SCHEMBL8845800 0.75 TSHR (0.47) TSHRESR2LMNAPTGESAR
SCHEMBL11876478 0.74 ESR2 (0.48) TSHRESR2LMNAPTGESKDM4E
SCHEMBL1472952 0.74 TSHR (0.67) TSHRESR2LMNAARKDM4E
SCHEMBL222 0.73 ESR2 (0.60) TSHRESR2PTGESARKDM4E
SCHEMBL29412287 0.73 ESR2 (0.60) TSHRESR2PTGESARKDM4E

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