SCHEMBL8990993

SCHEMBL8990993

CC(C)(CC(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
AGTR1 P30556 1/20 0.34
GHSR Q92847 1/20 0.34
PRMT5 O14744 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 2/20 0.33
NAMPT P43490 2/20 0.32
ROCK2 O75116 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
WDR77 Q9BQA1 2/20 0.32
RAB9A P51151 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
SCHEMBL8990908 0.94 GAA (0.35) ADRB2ADRB1ADRB3TSHRGAA
SCHEMBL8990830 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRGAA
SCHEMBL8991035 0.88 MME (0.36) AGTR1GHSRTACR1MMEACE
SCHEMBL7791792 0.84 GHSR (0.49) AGTR1GHSR
SCHEMBL8990851 0.84 TACR1 (0.38) AGTR1GHSRTACR1MMEACE
SCHEMBL8991085 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRGAA
SCHEMBL8990868 0.82 KMT2A (0.34) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8990896 0.82 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRNAMPT
SCHEMBL8990950 0.82 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRGAA
SCHEMBL8991127 0.81 MME (0.36) AGTR1GHSRTACR1MMEACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed