SCHEMBL8176161

SCHEMBL8176161

CN(C)CCCN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.70
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL8176163 1.00 GHSR (0.70) GHSRALDH1A1MAPTMC4RMC5R
SCHEMBL6325114 0.90 GHSR (0.69) GHSRMC4RMC5RMC3R
SCHEMBL6325120 0.90 GHSR (0.69) GHSRMC4RMC5RMC3R
SCHEMBL8169749 0.87 GHSR (0.59) GHSR
SCHEMBL8169746 0.87 GHSR (0.59) GHSR
SCHEMBL8227229 0.86 GHSR (0.65) GHSRALDH1A1MAPT
SCHEMBL3268360 0.86 GHSR (0.65) GHSRALDH1A1MAPT
SCHEMBL13307558 0.86 GHSR (0.65) GHSRALDH1A1MAPT
SCHEMBL3268355 0.86 GHSR (0.65) GHSRALDH1A1MAPT
SCHEMBL8174025 0.84 GHSR (0.71) GHSRMC4RMC5RMC3R

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-6127341-A AMINOMETHYL-N-(1-((2-(2-THIENYL)-1-(1-CARBAMOYL-5 -AMINOPENTYLCARBAMOYL)ETHYL)-N-METHYLCARBAMOYL)-2-(2 -NAPTHYL)ETHYL)BENZAMIDE, FOR EXAMPLE; ADMINISTERING TO STIMULATE GROWTH, MILK OR WOOL PRODUCTION IN ANIMALS NOVO NORDISK A/S (DK) 2000-10-03 US claimed
US-6127341-A AMINOMETHYL-N-(1-((2-(2-THIENYL)-1-(1-CARBAMOYL-5 -AMINOPENTYLCARBAMOYL)ETHYL)-N-METHYLCARBAMOYL)-2-(2 -NAPTHYL)ETHYL)BENZAMIDE, FOR EXAMPLE; ADMINISTERING TO STIMULATE GROWTH, MILK OR WOOL PRODUCTION IN ANIMALS NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
EP-1005484-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-06-07 EP disclosed
WO-1998058950-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-12-30 WO disclosed