SCHEMBL8990719

SCHEMBL8990719

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
GHSR Q92847 2/20 0.32
THRB P10828 1/20 0.32
FPR1 P21462 5/20 0.31
FPR2 P25090 5/20 0.31
NPY1R P25929 1/20 0.31
AGTR1 P30556 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8990894 0.94 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL8990964 0.94 GHSR (0.34) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL8991018 0.92 GHSR (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1GHSR
SCHEMBL8990875 0.91 GHSR (0.31) GHSRAGTR1
SCHEMBL8990943 0.91 FPR1 (0.34) SMN1; SMN2ALDH1A1KMT2AGHSRFPR1
SCHEMBL8990873 0.90 GHSR (0.43) GHSRAGTR1
SCHEMBL8990990 0.89 GHSR (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL8990882 0.89 ADRB2 (0.35) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL8990981 0.88 GHSR (0.34) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL8990901 0.87 MEN1 (0.32) SMN1; SMN2ALDH1A1KMT2AMEN1GAA

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