SCHEMBL7743569

SCHEMBL7743569

Cc1ccccc1CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.49
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CCKBR P32239 2/20 0.45
NMBR P28336 2/20 0.45
TACR2 P21452 2/20 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
SCHEMBL7745638 0.85 TACR1 (0.50) TACR1CCKBRNMBR
SCHEMBL7742410 0.85 KMT2A (0.52) TACR1CCKBRNMBR
SCHEMBL7743627 0.83 TACR1 (0.51) TACR1CCKBRNMBR
SCHEMBL7742356 0.81 TACR1 (0.58) TACR1BCHEACHENMBR
SCHEMBL7743655 0.78 TACR1 (0.46) TACR1CCKBRNMBR
SCHEMBL7742501 0.78 TACR1 (0.46) TACR1CCKBRNMBR
SCHEMBL7743562 0.76 TACR1 (0.50) TACR1BCHEACHETACR2
SCHEMBL7737704 0.74 TACR1 (0.58) TACR1NMBR
SCHEMBL8816203 0.74 KMT2A (0.48) TACR1TACR2
SCHEMBL7745643 0.73 TACR1 (0.59) TACR1BCHENMBR

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