SCHEMBL6508972

SCHEMBL6508972

NC(=O)C(CC1CCCNC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CPN1 P15169 1/20 0.48
CPB2 Q96IY4 1/20 0.48
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
EPHX1 P07099 1/20 0.44
CHEK1 O14757 2/20 0.41
PARP1 P09874 1/20 0.41
GPR88 Q9GZN0 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ACP1 P24666 1/20 0.38

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
SCHEMBL3645809 0.84 EPHX1 (0.53) KMT2AEPHX1
SCHEMBL27437633 0.81 EPHX1 (0.56) KMT2AEPHX1
SCHEMBL5161371 0.76 MAPT (0.45) EPHX1
SCHEMBL16475935 0.73 CPN1 (0.47) KMT2ACPN1CPB2SLC6A2SLC6A4
SCHEMBL1798689 0.73 CPN1 (0.54) KMT2ACPN1CPB2CHRNB2CHRNA4
SCHEMBL1798686 0.73 CPN1 (0.54) KMT2ACPN1CPB2CHRNB2CHRNA4
SCHEMBL2649973 0.73 NPY5R (0.51) EPHX1GPR88
SCHEMBL1418773 0.71 CYP2C19 (0.47)
SCHEMBL1418768 0.71 CYP2C19 (0.47)
Bromide SCHEMBL8816635 0.71 CYP19A1 (0.45) KMT2ACPN1CPB2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033068-A1 SOMATOSTATIN RECEPTOR 1 AND/OR 4 SELECTIVE AGONISTS AND ANTAGONISTS OY JUVANTIA PHARMA LTD (FI) 2005-04-14 WO disclosed