SCHEMBL7743562

SCHEMBL7743562

Cc1ccccc1CNC(=O)C(NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
BRS3 P32247 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 2/20 0.41
CALCRL Q16602 1/20 0.40
SSTR2 P30874 1/20 0.40
TACR2 P21452 2/20 0.40

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
SCHEMBL7742356 0.86 TACR1 (0.58) TACR1BCHEACHEBRS3CALCRL
SCHEMBL7745636 0.86 TACR1 (0.51) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7742400 0.85 TACR1 (0.52) TACR1BRS3KMT2ASSTR2
SCHEMBL7743621 0.84 TACR1 (0.52) TACR1MEN1KMT2ASMN1; SMN2SSTR2
SCHEMBL7737704 0.80 TACR1 (0.58) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7745643 0.79 TACR1 (0.59) TACR1BCHEBRS3CALCRL
SCHEMBL7737625 0.79 BRS3 (0.60) TACR1BRS3CALCRL
SCHEMBL7742495 0.78 SSTR2 (0.51) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7743652 0.78 SSTR2 (0.47) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7743607 0.78 TACR1 (0.59) TACR1BRS3CALCRL

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