SCHEMBL7737651

SCHEMBL7737651

CCc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(C3CCCCC3)CC2)cc(CC)c1CC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.56
TACR1 P25103 10/20 0.56
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
NMBR P28336 1/20 0.47
BCHE P06276 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
SCHEMBL7745600 0.94 BRS3 (0.58) BRS3TACR1PSMB8PSMB9NMBR
SCHEMBL7742413 0.92 BRS3 (0.56) BRS3TACR1ALDH1A1TP53MEN1
SCHEMBL7745651 0.92 TACR1 (0.58) BRS3TACR1ALDH1A1TP53MEN1
SCHEMBL7745566 0.91 BRS3 (0.58) BRS3TACR1ALDH1A1TP53MEN1
SCHEMBL7745623 0.90 TACR1 (0.60) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7743242 0.89 BRS3 (0.59) BRS3TACR1ALDH1A1TP53MEN1
SCHEMBL7743028 0.88 TACR1 (0.54) BRS3TACR1ALDH1A1TP53MEN1
SCHEMBL7743615 0.88 TACR1 (0.60) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7743760 0.88 BRS3 (0.56) BRS3TACR1ALDH1A1TP53MEN1
SCHEMBL7737679 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 11 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
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