SCHEMBL8990872

SCHEMBL8990872

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.40
AGTR1 P30556 1/20 0.40
TSHR P16473 3/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
HDAC1 Q13547 2/20 0.35
GAA P10253 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 2/20 0.33
ROCK2 O75116 1/20 0.33
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 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
SCHEMBL8990905 0.92 TSHR (0.37) GHSRAGTR1TSHRALDH1A1SMN1; SMN2
SCHEMBL8990769 0.92 HDAC3 (0.36) GHSRAGTR1TSHRALDH1A1SMN1; SMN2
SCHEMBL8990996 0.91 KMT2A (0.38) GHSRAGTR1ALDH1A1MAPTLMNA
SCHEMBL8990950 0.89 ADRB2 (0.33) GHSRAGTR1TSHRALDH1A1SMN1; SMN2
SCHEMBL8990830 0.89 ADRB2 (0.36) GHSRAGTR1TSHRALDH1A1SMN1; SMN2
SCHEMBL8990849 0.87 GHSR (0.42) GHSRAGTR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8990880 0.85 GHSR (0.42) GHSRAGTR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8990882 0.82 ADRB2 (0.35) TSHRALDH1A1SMN1; SMN2MAPTHDAC1
SCHEMBL8991085 0.82 ADRB2 (0.38) TSHRALDH1A1MAPTHDAC1GAA
SCHEMBL8990892 0.81 ADRB2 (0.31) TSHRALDH1A1NAMPTROCK2

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