SCHEMBL8990901

SCHEMBL8990901

CNC(=O)Nc1cc(CN2Cc3ccc(F)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)ccc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
NPY1R P25929 1/20 0.30
PRF1 P14222 1/20 0.30
IDH2 P48735 2/20 0.30
CHRM3 P20309 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 0.93 SMN1; SMN2 (0.34) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL8990719 0.87 SMN1; SMN2 (0.34) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL8990981 0.87 GHSR (0.34) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL8991083 0.86 GHSR (0.43) ADRB2ADRB1ADRB3
SCHEMBL8991052 0.85
SCHEMBL8990833 0.85 GHSR (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8990826 0.84 FPR1 (0.34) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8990749 0.84 GHSR (0.31)
SCHEMBL8991085 0.82 ADRB2 (0.38) ALDH1A1GAAKMT2AADRB2ADRB1
SCHEMBL8990990 0.81 GHSR (0.38) MEN1ALDH1A1GAAKMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed