SCHEMBL7742501

SCHEMBL7742501

CCOc1ccc(CNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(C3CCCCC3)CC2)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCKBR P32239 1/20 0.44
NMBR P28336 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7743655 0.93 TACR1 (0.46) TACR1KMT2AMEN1SMN1; SMN2CCKBR
SCHEMBL7743627 0.91 TACR1 (0.51) TACR1KMT2AMEN1SMN1; SMN2CCKBR
SCHEMBL7743281 0.87 TACR1 (0.49) TACR1KMT2ACCKBR
SCHEMBL7742410 0.86 KMT2A (0.52) TACR1KMT2ACCKBRNMBRALDH1A1
SCHEMBL7743793 0.84 TACR1 (0.54) TACR1KMT2AMEN1SMN1; SMN2NMBR
SCHEMBL7745638 0.84 TACR1 (0.50) TACR1KMT2AMEN1SMN1; SMN2CCKBR
SCHEMBL7742495 0.79 SSTR2 (0.51) TACR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7743569 0.78 TACR1 (0.49) TACR1CCKBRNMBR
SCHEMBL7745641 0.78 BRS3 (0.55) TACR1KMT2ANMBR
SCHEMBL7737709 0.78 TACR1 (0.55) TACR1KMT2AMEN1SMN1; SMN2CCKBR

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