SCHEMBL8990833

SCHEMBL8990833

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.35
AGTR1 P30556 1/20 0.33
HDAC1 Q13547 1/20 0.33
PTGER1 P34995 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL8991018 0.94 GHSR (0.35) GHSRAGTR1HDAC1PTGER1SMN1; SMN2
SCHEMBL8990726 0.93 GHSR (0.37) GHSRAGTR1HDAC1PTGER1
SCHEMBL8990894 0.92 SMN1; SMN2 (0.34) GHSRAGTR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL8990826 0.91 FPR1 (0.34) GHSRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8990749 0.91 GHSR (0.31) GHSR
SCHEMBL8990923 0.89 GHSR (0.47) GHSRAGTR1PTGER1
SCHEMBL8990830 0.88 ADRB2 (0.36) GHSRAGTR1HDAC1SMN1; SMN2ALDH1A1
SCHEMBL8990849 0.88 GHSR (0.42) GHSRAGTR1HDAC1PTGER1SMN1; SMN2
SCHEMBL8990988 0.87 GHSR (0.38) GHSRAGTR1HDAC1PTGER1SMN1; SMN2
SCHEMBL8991035 0.87 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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed