SCHEMBL8748599

SCHEMBL8748599

O=C(CN1CCC(N2CCCCC2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.59
BRS3 P32247 2/20 0.59
CALCRL Q16602 1/20 0.49
PSMB8 P28062 2/20 0.47
PSMB9 P28065 1/20 0.47

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
SCHEMBL7743242 0.94 BRS3 (0.59) TACR1BRS3PSMB8PSMB9
SCHEMBL7743112 0.93 TACR1 (0.59) TACR1BRS3CALCRLPSMB8PSMB9
SCHEMBL7743082 0.92 TACR1 (0.66) TACR1BRS3CALCRLPSMB8PSMB9
SCHEMBL7737625 0.90 BRS3 (0.60) TACR1BRS3CALCRLPSMB8PSMB9
SCHEMBL7745600 0.89 BRS3 (0.58) TACR1BRS3CALCRLPSMB8PSMB9
SCHEMBL7737710 0.88 TACR1 (0.59) TACR1BRS3CALCRL
SCHEMBL7745643 0.88 TACR1 (0.59) TACR1BRS3CALCRLPSMB8PSMB9
SCHEMBL7742826 0.87 TACR1 (0.60) TACR1BRS3CALCRL
SCHEMBL7743811 0.87 BRS3 (0.58) TACR1BRS3PSMB8PSMB9
SCHEMBL7742437 0.87 BRS3 (0.58) TACR1BRS3CALCRLPSMB8PSMB9

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