SCHEMBL7743134

SCHEMBL7743134

CC(c1c[nH]c2ccccc12)C(NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.48
BRS3 P32247 2/20 0.48
SSTR2 P30874 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7743275 0.87 SSTR2 (0.54) TACR1BRS3SSTR2
SCHEMBL7745612 0.86 TACR1 (0.50) TACR1BRS3
SCHEMBL7745582 0.86 BRS3 (0.64) TACR1BRS3
SCHEMBL7745667 0.85 TACR1 (0.54) TACR1BRS3
SCHEMBL7743579 0.78 BRS3 (0.65) TACR1BRS3
SCHEMBL7743132 0.77 TACR1 (0.60) TACR1BRS3
SCHEMBL7745636 0.76 TACR1 (0.51) TACR1BRS3SSTR2MEN1ALDH1A1
SCHEMBL7743103 0.76 BRS3 (0.62) TACR1BRS3
SCHEMBL7737687 0.76 BRS3 (0.62) TACR1BRS3MAPTHTT
SCHEMBL7743138 0.76 CCKBR (0.52) TACR1

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 4 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
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO claimed