SCHEMBL8990950

SCHEMBL8990950

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
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 2/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.31
P2RX3 P56373 1/20 0.31
NAMPT P43490 2/20 0.30
ROCK2 O75116 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 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
SCHEMBL8990830 0.94 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL8990882 0.93 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL8990892 0.92 ADRB2 (0.31) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL8990940 0.92 KMT2A (0.35) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL8990872 0.89 GHSR (0.40) ALDH1A1TSHRGAAMAPTSMN1; SMN2
SCHEMBL8991018 0.88 GHSR (0.35) ALDH1A1SMN1; SMN2AGTR1GHSRHDAC1
SCHEMBL8990908 0.88 GAA (0.35) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL8991085 0.87 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL8990988 0.87 GHSR (0.38) ALDH1A1SMN1; SMN2AGTR1GHSRHDAC1
SCHEMBL8990868 0.86 KMT2A (0.34) ADRB2ADRB1ADRB3ALDH1A1TSHR

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