SCHEMBL8748207

SCHEMBL8748207

CCOc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N3CCCCC3)CC2)cc(OCC)c1OCC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.55
TACR1 P25103 9/20 0.54
CALCRL Q16602 1/20 0.48
NMBR P28336 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ECE1 P42892 1/20 0.45
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44

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
SCHEMBL7743028 0.94 TACR1 (0.54) BRS3TACR1NMBRGAAMAPT
SCHEMBL7745641 0.93 BRS3 (0.55) BRS3TACR1CALCRLNMBRGAA
SCHEMBL7743607 0.91 TACR1 (0.59) BRS3TACR1CALCRLNMBRMAPT
SCHEMBL7742826 0.90 TACR1 (0.60) BRS3TACR1CALCRLMAPT
SCHEMBL7745600 0.88 BRS3 (0.58) BRS3TACR1CALCRLNMBRPSMB8
SCHEMBL7737625 0.88 BRS3 (0.60) BRS3TACR1CALCRLNMBRGAA
SCHEMBL7737746 0.88 TACR1 (0.55) BRS3TACR1CALCRLNMBR
SCHEMBL7745643 0.87 TACR1 (0.59) BRS3TACR1CALCRLNMBRPSMB8
SCHEMBL7743793 0.87 TACR1 (0.54) BRS3TACR1NMBRGAAMAPT
SCHEMBL7743583 0.87 TACR1 (0.60) BRS3TACR1CALCRLGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP claimed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US claimed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed