SCHEMBL7795400

SCHEMBL7795400

N#Cc1ccccc1-c1ccc(CO)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.54
PTPN5 P54829 1/20 0.43
TRPA1 O75762 1/20 0.43
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
HPGD P15428 1/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
AR P10275 4/20 0.38

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
SCHEMBL2404 0.86 ESR2 (0.47) ESR2PTPN5TRPA1FFAR1AKR1B1
SCHEMBL14524888 0.82 ESR2 (0.54) ESR2PTPN5TRPA1ALDH1A1CYP1A2
SCHEMBL1373309 0.79 AR (0.58) ESR2PTPN5ARPGR
SCHEMBL7791085 0.79 ESR2 (0.44) ESR2PTPN5TRPA1FFAR1AKR1B1
SCHEMBL2773606 0.78 PDCD1 (0.62) ESR2PTPN5ALDH1A1CYP1A2CYP3A4
SCHEMBL1873 0.76 ESR2 (0.50) ESR2PTPN5TRPA1PTGESALDH1A1
SCHEMBL6218205 0.76 ESR2 (0.50) ESR2PTPN5TRPA1PTGESALDH1A1
SCHEMBL1713 0.75 ESR2 (0.67) ESR2PTPN5TRPA1FFAR1AKR1B1
SCHEMBL7791762 0.75 DPP4 (0.55) TRPA1ALDH1A1MAPK1CYP2C19KMT2A
SCHEMBL3126331 0.75 ESR2 (0.66) ESR2PTPN5TRPA1FFAR1AKR1B1

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 4 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
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed