SCHEMBL8990818

SCHEMBL8990818

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
TACR1 P25103 2/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8990812 1.00 GHSR (0.47) GHSRAGTR1TACR1HDAC1HDAC7
SCHEMBL8991023 0.92 GHSR (0.42) GHSRAGTR1TACR1HDAC1HDAC7
SCHEMBL8991029 0.92 GHSR (0.42) GHSRAGTR1TACR1HDAC1HDAC7
SCHEMBL8990746 0.91 GHSR (0.50) GHSRAGTR1TACR1HDAC1HDAC7
SCHEMBL8990748 0.91 GHSR (0.50) GHSRAGTR1TACR1HDAC1HDAC7
SCHEMBL8991117 0.90 AGTR1 (0.41) GHSRAGTR1TACR1
SCHEMBL8991114 0.90 AGTR1 (0.41) GHSRAGTR1TACR1
SCHEMBL8991111 0.87 GHSR (0.57) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990960 0.84 GHSR (0.47) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991136 0.83 GHSR (0.46) GHSRAGTR1TACR1OPRM1OPRD1

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 4 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO 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