SCHEMBL8990908

SCHEMBL8990908

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
AGTR1 P30556 1/20 0.34
GHSR Q92847 1/20 0.34
TSHR P16473 1/20 0.34
PRMT5 O14744 1/20 0.34
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NAMPT P43490 2/20 0.33
ROCK2 O75116 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL8990993 0.94 ADRB2 (0.35) GAAAGTR1GHSRTSHRPRMT5
SCHEMBL8990950 0.88 ADRB2 (0.33) GAAAGTR1GHSRTSHRRAB9A
SCHEMBL8991127 0.88 MME (0.36) AGTR1GHSRTACR1MMEACE
SCHEMBL8990916 0.86 GHSR (0.39) AGTR1GHSRTACR1MMEACE
SCHEMBL7791538 0.84 GHSR (0.50) AGTR1GHSR
SCHEMBL8991087 0.84 TACR1 (0.39) AGTR1GHSRTACR1MMEACE
SCHEMBL8990882 0.83 ADRB2 (0.35) GAATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL8990892 0.82 ADRB2 (0.31) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8990940 0.82 KMT2A (0.35) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL8990830 0.82 ADRB2 (0.36) GAAAGTR1GHSRTSHRPRMT5

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 2 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