SCHEMBL8991018

SCHEMBL8991018

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.35
AGTR1 P30556 1/20 0.34
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER1 P34995 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
XIAP P98170 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
SDCBP O00560 1/20 0.30
SDC2 P34741 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
SCHEMBL8990833 0.94 GHSR (0.35) GHSRAGTR1HDAC1MEN1ALDH1A1
SCHEMBL8990988 0.93 GHSR (0.38) GHSRAGTR1HDAC1MEN1ALDH1A1
SCHEMBL8990719 0.92 SMN1; SMN2 (0.34) GHSRAGTR1MEN1ALDH1A1KMT2A
SCHEMBL8990875 0.91 GHSR (0.31) GHSRAGTR1
SCHEMBL8990943 0.91 FPR1 (0.34) GHSRALDH1A1KMT2ASMN1; SMN2XIAP
SCHEMBL8990948 0.89 GHSR (0.47) GHSRAGTR1PTGER1XIAP
SCHEMBL8990849 0.88 GHSR (0.42) GHSRAGTR1HDAC1MEN1ALDH1A1
SCHEMBL8990950 0.88 ADRB2 (0.33) GHSRAGTR1HDAC1MEN1ALDH1A1
SCHEMBL8990726 0.87 GHSR (0.37) GHSRAGTR1HDAC1PTGER1
SCHEMBL8991127 0.86 MME (0.36) GHSRAGTR1

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