SCHEMBL7742413

SCHEMBL7742413

CCc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(C3CCCCC3)CC2)cc1CC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.56
TACR1 P25103 10/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
NMBR P28336 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 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
SCHEMBL7743593 0.94 BRS3 (0.58) BRS3TACR1PSMB8PSMB9GAA
SCHEMBL7745651 0.93 TACR1 (0.58) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7737651 0.92 BRS3 (0.56) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7743760 0.91 BRS3 (0.56) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7743793 0.90 TACR1 (0.54) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7743615 0.90 TACR1 (0.60) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7743811 0.89 BRS3 (0.58) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7745566 0.89 BRS3 (0.58) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7737704 0.88 TACR1 (0.58) BRS3TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7742367 0.87 TACR1 (0.56) BRS3TACR1MEN1KMT2ASMN1; SMN2

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