SCHEMBL7500323

SCHEMBL7500323

CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)C1N(S(C)(=O)=O)c2ccccc2C12CCNCC2.CS(=O)(=O)O

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GHSR known ✓ Q92847 15/20 0.55
TACR1 known ✓ P25103 4/20 0.41

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
SCHEMBL8469385 0.99 GHSR (0.56) GHSRTACR1
SCHEMBL7406419 0.89 GHSR (0.45) GHSRTACR1
SCHEMBL8150673 0.83 GHSR (0.57) GHSRTACR1
Hydrochloric Acid SCHEMBL9391073 0.79 GHSR (0.48) GHSR
SCHEMBL7399209 0.79 GHSR (0.47) GHSR
SCHEMBL9391333 0.78 GHSR (0.46) GHSR
SCHEMBL6273359 0.77 GHSR (0.47) GHSR
SCHEMBL5697839 0.76 GHSR (0.47) GHSR
SCHEMBL8816268 0.76 GHSR (0.47) GHSR
SCHEMBL14089961 0.76 GHSR (0.78) GHSRTACR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019402-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 2000-07-19 EP claimed
WO-1997015574-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO claimed
EP-1019402-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 2000-07-19 EP disclosed
EP-0857020-A4 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0857020-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 1998-08-12 EP disclosed
WO-1997015191-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015574-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO disclosed