SCHEMBL7791085

SCHEMBL7791085

CC(=O)OCc1ccc(-c2ccccc2C#N)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
FFAR1 O14842 2/20 0.41
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HSD17B3 P37058 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL9025920 0.79 FFAR1 (0.57) ESR2FFAR1AKR1B1ALDH1A1GRIA2
SCHEMBL7795400 0.79 ESR2 (0.54) ESR2FFAR1AKR1B1ALDH1A1CYP1A2
SCHEMBL7791084 0.78 RAB9A (0.39) ESR2FFAR1AKR1B1ALDH1A1NPC1
SCHEMBL2404 0.77 ESR2 (0.47) ESR2FFAR1AKR1B1ALDH1A1CYP1A2
SCHEMBL1232129 0.76 FFAR1 (0.38) FFAR1ALDH1A1CYP3A4HSD17B10RAB9A
SCHEMBL4618290 0.75 ALDH1A1 (0.56) FFAR1ALDH1A1NPC1RAB9ACASP3
SCHEMBL3133 0.74 PDCD1 (0.43) FFAR1AKR1B1
SCHEMBL1232755 0.73 ALDH1A1 (0.45) FFAR1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL9846013 0.73 TSHR (0.36) ESR2FFAR1AKR1B1ALDH1A1CYP1A2
SCHEMBL25170808 0.72 NOS3 (0.42) ALDH1A1CYP1A2CYP3A4ALOX15NPC1

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