SCHEMBL7745599

SCHEMBL7745599

CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.61
BRS3 P32247 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
MMP9 P14780 5/20 0.53
MMP8 P22894 4/20 0.53
MMP1 P03956 2/20 0.53
MMP3 P08254 2/20 0.53
PSMB8 P28062 1/20 0.53
PSMB9 P28065 1/20 0.53
MMP2 P08253 3/20 0.50

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
SCHEMBL7742348 0.90 TACR1 (0.61) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL8813966 0.89 TACR1 (0.60) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7745651 0.88 TACR1 (0.58) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737704 0.88 TACR1 (0.58) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7745566 0.88 BRS3 (0.58) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7743760 0.86 BRS3 (0.56) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737679 0.86 TACR1 (0.68) TACR1BRS3
SCHEMBL7742413 0.86 BRS3 (0.56) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737651 0.86 BRS3 (0.56) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7743754 0.86 TACR1 (0.58) TACR1BRS3MEN1KMT2ASMN1; SMN2

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 3 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 disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed