SCHEMBL7791084

SCHEMBL7791084

CC(=O)OCc1ccc(-c2ccccc2C#N)c(C#N)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 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
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
POLB P06746 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
SCHEMBL7795399 0.79 ESR2 (0.42) GRIA2GRIA4ALDH1A1TSHRKMT2A
SCHEMBL1232755 0.79 ALDH1A1 (0.45) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7791085 0.78 ESR2 (0.44) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7791554 0.77 ESR2 (0.37) RAB9ANPC1GRIA2GRIA4TSHR
SCHEMBL4618290 0.75 ALDH1A1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7791522 0.74 NAAA (0.33) RAB9ANPC1GRIA2GRIA4
SCHEMBL20607703 0.72 XDH (0.40) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL7791778 0.71 TSHR (0.46) TDP1GRIA2GRIA4ALDH1A1TSHR
SCHEMBL9025920 0.71 FFAR1 (0.57) GRIA2GRIA4ALDH1A1ESR2FFAR1
SCHEMBL24947662 0.71 IMPDH2 (0.45) RAB9ANPC1CASP3SENP8SENP7

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 8 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-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
EP-0583783-B1 Synthetic aluminosilicates and their use as heterogen rearrangement catalysts WACKER CHEMIE GMBH (DE) 1995-06-21 EP disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed
EP-0583783-A1 Synthetic aluminosilicates and their use as heterogen rearrangement catalysts Wacker-Chemie GmbH (DE) 1994-02-23 EP disclosed