SCHEMBL8990830

SCHEMBL8990830

CC(C)(CC(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AGTR1 P30556 1/20 0.32
GHSR Q92847 1/20 0.32
LMNA P02545 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
HDAC1 Q13547 1/20 0.30
ROCK2 O75116 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL8990950 0.94 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8991085 0.93 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8990868 0.92 KMT2A (0.34) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8990896 0.92 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRROCK2
SCHEMBL8990872 0.89 GHSR (0.40) TSHRALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL8990833 0.88 GHSR (0.35) ALDH1A1SMN1; SMN2AGTR1GHSRHDAC1
SCHEMBL8990993 0.88 ADRB2 (0.35) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8990882 0.87 ADRB2 (0.35) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8990726 0.87 GHSR (0.37) AGTR1GHSRHDAC1
SCHEMBL8990892 0.86 ADRB2 (0.31) ADRB2ADRB1ADRB3TSHRALDH1A1

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