SCHEMBL8990794

SCHEMBL8990794

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3CC(NC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
NAAA Q02083 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL8990800 1.00 HRH4 (0.43) HRH4CTSLCTSBMMEACE
SCHEMBL8991003 0.84 GHSR (0.51) HRH4MMEACEOPRM1OPRD1
SCHEMBL8990897 0.82 GHSR (0.47) HRH4MMEACEOPRM1OPRD1
SCHEMBL8990820 0.81 HDAC1 (0.43) OPRM1OPRD1PTGER1PTGER4PTGER3
SCHEMBL8990811 0.81 HDAC1 (0.43) OPRM1OPRD1PTGER1PTGER4PTGER3
SCHEMBL8991113 0.80 GHSR (0.42) HRH4CTSLCTSBMMEACE
SCHEMBL8991119 0.80 GHSR (0.42) HRH4CTSLCTSBMMEACE
SCHEMBL8991127 0.78 MME (0.36) HRH4MMEACEOPRM1OPRD1
SCHEMBL8991035 0.77 MME (0.36) HRH4MMEACEOPRM1OPRD1
SCHEMBL8990865 0.77 GHSR (0.44) PTGER3

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