SCHEMBL7743138

SCHEMBL7743138

CC(Cc1c[nH]c2ccccc12)(NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.52
TACR1 P25103 10/20 0.51
NMBR P28336 1/20 0.45
GRPR P30550 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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 0.87 TACR1 (0.50) CCKBRTACR1DRD2DRD4DRD3
SCHEMBL7743281 0.87 TACR1 (0.49) CCKBRTACR1
SCHEMBL7745672 0.85 TACR1 (0.55) CCKBRTACR1
SCHEMBL7745582 0.80 BRS3 (0.64) TACR1
SCHEMBL7745638 0.76 TACR1 (0.50) CCKBRTACR1NMBR
SCHEMBL7743134 0.76 TACR1 (0.48) TACR1
SCHEMBL10625959 0.76 CCKBR (0.70) CCKBRTACR1NMBR
SCHEMBL7743132 0.75 TACR1 (0.60) TACR1
SCHEMBL8815693 0.74 TACR1 (0.48) TACR1DRD2DRD4DRD3
SCHEMBL7742501 0.74 TACR1 (0.46) CCKBRTACR1NMBR

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