SCHEMBL7745667

SCHEMBL7745667

COc1cc(CNC(=O)C(NC(=O)CN2CCN(c3ccccc3)CC2)C(C)c2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.54
GFER P55789 1/20 0.49
BRS3 P32247 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
SCHEMBL7745612 0.88 TACR1 (0.50) TACR1BRS3
SCHEMBL7742474 0.88 TACR1 (0.64) TACR1BRS3
SCHEMBL7743275 0.87 SSTR2 (0.54) TACR1BRS3
SCHEMBL7743134 0.85 TACR1 (0.48) TACR1BRS3
SCHEMBL7745608 0.80 TACR1 (0.64) TACR1BRS3
SCHEMBL7742400 0.79 TACR1 (0.52) TACR1BRS3
SCHEMBL7737639 0.79 BRS3 (0.58) TACR1BRS3
SCHEMBL7743652 0.78 SSTR2 (0.47) TACR1BRS3
SCHEMBL7743734 0.78 TACR1 (0.60) TACR1
SCHEMBL7743248 0.78 TACR1 (0.75) TACR1BRS3

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