SCHEMBL7745600

SCHEMBL7745600

CCc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N3CCCCC3)CC2)cc(CC)c1CC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.58
TACR1 P25103 10/20 0.56
CALCRL Q16602 1/20 0.48
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
NMBR P28336 1/20 0.45

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
SCHEMBL7737651 0.94 BRS3 (0.56) BRS3TACR1PSMB8PSMB9BCHE
SCHEMBL7743593 0.92 BRS3 (0.58) BRS3TACR1CALCRLPSMB8PSMB9
SCHEMBL7745643 0.92 TACR1 (0.59) BRS3TACR1CALCRLPSMB8PSMB9
SCHEMBL7737625 0.91 BRS3 (0.60) BRS3TACR1CALCRLPSMB8PSMB9
SCHEMBL7742826 0.90 TACR1 (0.60) BRS3TACR1CALCRL
SCHEMBL8748599 0.89 TACR1 (0.59) BRS3TACR1CALCRLPSMB8PSMB9
SCHEMBL8748207 0.88 BRS3 (0.55) BRS3TACR1CALCRLPSMB8PSMB9
SCHEMBL7743583 0.88 TACR1 (0.60) BRS3TACR1CALCRL
SCHEMBL7742437 0.88 BRS3 (0.58) BRS3TACR1CALCRLPSMB8PSMB9
SCHEMBL7743767 0.88 TACR1 (0.68) BRS3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP claimed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP claimed
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
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO 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