SCHEMBL8990975

SCHEMBL8990975

CNC(=O)NC(C)(C)c1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.45
AGTR1 P30556 1/20 0.34
PTGER1 P34995 4/20 0.33
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GRM2 Q14416 1/20 0.31
TBXA2R P21731 2/20 0.30
PTGFR P43088 2/20 0.30
PTGIR P43119 2/20 0.30
PTGDR Q13258 2/20 0.30
PTGER2 P43116 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8990951 0.86 GHSR (0.61) GHSRAGTR1PTGER1PTGER3HDAC1
SCHEMBL8991069 0.84 GHSR (0.44) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL8990776 0.84 GHSR (0.47) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL8990967 0.81 GHSR (0.45) GHSRAGTR1HDAC1HDAC7KMT2A
SCHEMBL8990974 0.81 GHSR (0.45) GHSRAGTR1HDAC1HDAC7KMT2A
SCHEMBL8990979 0.81 GHSR (0.51) GHSRAGTR1PTGER1HDAC1HDAC7
SCHEMBL8990983 0.80 GHSR (0.62) GHSRAGTR1PTGER1PTGER3HDAC1
SCHEMBL8990915 0.80 GHSR (0.48) GHSRAGTR1PTGER1PTGER3HDAC1
SCHEMBL8990941 0.80 GHSR (0.62) GHSRAGTR1PTGER1PTGER3HDAC1
SCHEMBL8990886 0.79 GHSR (0.50) GHSRAGTR1HDAC1HDAC7KMT2A

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