SCHEMBL7742495

SCHEMBL7742495

CCOc1ccc(CNC(=O)C(NC(=O)CN2CCN(C3CCCCC3)CC2)C(C)c2c[nH]c3ccccc23)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 13/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TACR1 P25103 3/20 0.46
BRS3 P32247 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7743652 0.93 SSTR2 (0.47) SSTR2MEN1KMT2ASMN1; SMN2TACR1
SCHEMBL7743621 0.90 TACR1 (0.52) SSTR2MEN1KMT2ASMN1; SMN2TACR1
SCHEMBL7743793 0.89 TACR1 (0.54) MEN1KMT2ASMN1; SMN2TACR1BRS3
SCHEMBL7743275 0.88 SSTR2 (0.54) SSTR2TACR1BRS3
SCHEMBL7742400 0.87 TACR1 (0.52) SSTR2KMT2ATACR1BRS3
SCHEMBL7745636 0.83 TACR1 (0.51) SSTR2MEN1KMT2ASMN1; SMN2TACR1
SCHEMBL7745641 0.83 BRS3 (0.55) KMT2ATACR1BRS3
SCHEMBL7743028 0.82 TACR1 (0.54) MEN1KMT2ASMN1; SMN2TACR1BRS3
SCHEMBL7743615 0.80 TACR1 (0.60) MEN1KMT2ASMN1; SMN2TACR1BRS3
SCHEMBL7737733 0.80 TACR1 (0.59) MEN1KMT2ASMN1; SMN2TACR1BRS3

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