SCHEMBL7743281

SCHEMBL7743281

CCOc1ccc(CNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(c3ccccc3)CC2)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.49
CCKBR P32239 1/20 0.47
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
SCHEMBL7742501 0.87 TACR1 (0.46) TACR1CCKBRKMT2A
SCHEMBL7745672 0.87 TACR1 (0.55) TACR1CCKBRKMT2A
SCHEMBL7743138 0.87 CCKBR (0.52) TACR1CCKBR
SCHEMBL7745616 0.86 TACR1 (0.50) TACR1CCKBR
SCHEMBL7737736 0.83 BRS3 (0.58) TACR1
SCHEMBL7743655 0.80 TACR1 (0.46) TACR1CCKBRKMT2A
SCHEMBL7743275 0.78 SSTR2 (0.54) TACR1
SCHEMBL7743627 0.78 TACR1 (0.51) TACR1CCKBRKMT2A
SCHEMBL7742410 0.77 KMT2A (0.52) TACR1CCKBRKMT2A
SCHEMBL7743077 0.77 TACR1 (0.57) 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