SCHEMBL8990882

SCHEMBL8990882

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 1/20 0.33
P2RX3 P56373 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NAMPT P43490 2/20 0.31
ROCK2 O75116 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 2/20 0.30
NPY5R Q15761 1/20 0.30
MAPK1 P28482 1/20 0.30
EEF2K O00418 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
SCHEMBL8991085 0.95 ADRB2 (0.38) ADRB2ADRB1ADRB3NPSR1KMT2A
SCHEMBL8990950 0.93 ADRB2 (0.33) ADRB2ADRB1ADRB3NPSR1KMT2A
SCHEMBL8990940 0.92 KMT2A (0.35) ADRB2ADRB1ADRB3NPSR1KMT2A
SCHEMBL8990892 0.92 ADRB2 (0.31) ADRB2ADRB1ADRB3NAMPTROCK2
SCHEMBL8990769 0.90 HDAC3 (0.36) NPSR1KMT2AHDAC3HDAC1HDAC2
SCHEMBL8990719 0.89 SMN1; SMN2 (0.34) NPSR1KMT2ALMNAALDH1A1GAA
SCHEMBL8990964 0.88 GHSR (0.34) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL8990830 0.87 ADRB2 (0.36) ADRB2ADRB1ADRB3HDAC1NAMPT
SCHEMBL8990896 0.87 ADRB2 (0.33) ADRB2ADRB1ADRB3NAMPTROCK2
SCHEMBL8990868 0.87 KMT2A (0.34) ADRB2ADRB1ADRB3NPSR1KMT2A

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