SCHEMBL7742355

SCHEMBL7742355

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.58
BRS3 P32247 1/20 0.49
TACR2 P21452 3/20 0.47
CALCRL Q16602 1/20 0.47
NMBR P28336 1/20 0.46

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
SCHEMBL7742321 0.94 TACR1 (0.58) TACR1BRS3TACR2NMBR
SCHEMBL7737702 0.93 TACR1 (0.57) TACR1BRS3TACR2CALCRLNMBR
SCHEMBL7743791 0.92 TACR1 (0.62) TACR1BRS3TACR2CALCRLNMBR
SCHEMBL7743755 0.91 TACR1 (0.60) TACR1BRS3CALCRL
SCHEMBL7743809 0.91 TACR1 (0.58) TACR1BRS3TACR2CALCRLNMBR
SCHEMBL7743210 0.90 TACR1 (0.62) TACR1BRS3TACR2CALCRL
SCHEMBL7743573 0.90 TACR1 (0.62) TACR1BRS3TACR2CALCRLNMBR
SCHEMBL7737746 0.89 TACR1 (0.55) TACR1BRS3TACR2CALCRLNMBR
SCHEMBL7742399 0.89 TACR1 (0.62) TACR1BRS3TACR2CALCRL
SCHEMBL7743799 0.89 TACR1 (0.59) TACR1TACR2

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 12 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-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
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
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed