SCHEMBL7743161

SCHEMBL7743161

CCCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMBR P28336 11/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
TACR1 P25103 2/20 0.56
TACR3 P29371 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
TERT O14746 1/20 0.52
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL6305891 0.89 MAPT (0.76) NMBRMAPTLMNAGAAHTT
SCHEMBL8815278 0.85 TACR3 (0.61) NMBRMAPTLMNAGAAHTT
SCHEMBL6020516 0.84 CTSL (0.72) NMBRMAPTLMNAGAAHTT
SCHEMBL7745574 0.84 CTSL (0.72) MAPTLMNAGAAHTTTACR1
SCHEMBL6020210 0.84 NMBR (0.66) NMBRMAPTLMNAGAAHTT
SCHEMBL8797226 0.83 NMBR (0.70) NMBRTACR1TACR3HDAC3HDAC1
SCHEMBL3820631 0.83 KCNA5 (0.63) NMBRHTT
SCHEMBL8785114 0.83 KCNA5 (0.63) NMBRHTT
SCHEMBL4612012 0.83 KCNA5 (0.63) NMBRHTT
SCHEMBL8547809 0.83 KMT2A (0.66) NMBRMAPTTACR1

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 disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed