SCHEMBL7745672

SCHEMBL7745672

COc1cc(CNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.55
CCKBR P32239 1/20 0.48
KMT2A Q03164 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
SCHEMBL7745616 0.89 TACR1 (0.50) TACR1CCKBR
SCHEMBL7743281 0.87 TACR1 (0.49) TACR1CCKBRKMT2A
SCHEMBL7743138 0.85 CCKBR (0.52) TACR1CCKBR
SCHEMBL7742474 0.82 TACR1 (0.64) TACR1
SCHEMBL7742410 0.78 KMT2A (0.52) TACR1CCKBRKMT2A
SCHEMBL7743655 0.77 TACR1 (0.46) TACR1CCKBRKMT2A
SCHEMBL7745667 0.77 TACR1 (0.54) TACR1
SCHEMBL7743734 0.76 TACR1 (0.60) TACR1
SCHEMBL7743624 0.75 TACR1 (0.63) TACR1
SCHEMBL7745608 0.75 TACR1 (0.64) TACR1KMT2A

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