SCHEMBL7567797

SCHEMBL7567797

CC(CC1CCCNC1)C(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
KLK7 P49862 1/20 0.48
KMT2A Q03164 1/20 0.48
ACP1 P24666 1/20 0.47
JAK3 P52333 1/20 0.45
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
EPHX2 P34913 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL7567808 0.77 KMT2A (0.60) KLK7KMT2AACP1EPHX2CHRNB2
SCHEMBL7567956 0.77 KMT2A (0.43) KMT2AACP1EPHX2
SCHEMBL7558043 0.77 ROCK2 (0.43) KMT2AACP1JAK3EPHX2CHRNB2
SCHEMBL7598334 0.77 KMT2A (0.46) KLK7KMT2AACP1EPHX2CHRNB2
SCHEMBL6508976 0.76 KMT2A (0.67) KLK7KMT2AACP1JAK3EPHX2
SCHEMBL6050177 0.76 CPN1 (0.62) KMT2ACPN1CPB2CHRNB2CHRNB4
SCHEMBL26503529 0.72 METAP2 (0.55) KLK7KMT2AEPHX2
SCHEMBL7494113 0.71 KLK7 (0.40) KLK7JAK3
SCHEMBL7563657 0.71 KLK7 (0.40) KLK7JAK3
SCHEMBL6508972 0.70 KMT2A (0.51) KMT2AACP1CPN1CPB2CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 WO disclosed