SCHEMBL8990811

SCHEMBL8990811

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3CC(N)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
GHSR Q92847 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
PTGER1 P34995 3/20 0.37
HDAC7 Q8WUI4 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL8990820 1.00 HDAC1 (0.43) HDAC1GHSRMEN1KMT2AALDH1A1
SCHEMBL8991003 0.85 GHSR (0.51) HDAC1GHSROPRM1OPRD1AGTR1
SCHEMBL8990897 0.83 GHSR (0.47) HDAC1GHSROPRM1OPRD1AGTR1
SCHEMBL8990794 0.81 HRH4 (0.43) OPRM1OPRD1PTGER1PTGER4PTGER3
SCHEMBL8990800 0.81 HRH4 (0.43) OPRM1OPRD1PTGER1PTGER4PTGER3
SCHEMBL8990913 0.77 GHSR (0.45) HDAC1GHSRMEN1KMT2AALDH1A1
SCHEMBL8991127 0.77 MME (0.36) GHSROPRM1OPRD1AGTR1
SCHEMBL8990849 0.76 GHSR (0.42) HDAC1GHSRMEN1KMT2AALDH1A1
SCHEMBL8991035 0.76 MME (0.36) GHSROPRM1OPRD1AGTR1
SCHEMBL8990865 0.76 GHSR (0.44) HDAC1GHSRKMT2AALDH1A1MAPT

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