SCHEMBL4785267

SCHEMBL4785267

O=C(O)NN1CCC(Oc2ccc(O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.48
FAAH O00519 2/20 0.48
HRH3 Q9Y5N1 1/20 0.41
SRD5A1 P18405 1/20 0.41
AADAC P22760 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL4687159 0.83 ACACB (0.52) HRH3MAPT
SCHEMBL4233654 0.81 GPR119 (0.48) EPHX2FAAHHRH3AADACCHRM3
SCHEMBL5243542 0.80 SRD5A1 (0.50) EPHX2SRD5A1CHRM3SRD5A2
SCHEMBL2763760 0.78 EPHX2 (0.50) EPHX2FAAHHRH3MAPTSMN1; SMN2
SCHEMBL2763580 0.76 EPHX2 (0.50) EPHX2FAAHSRD5A1CHRM3
SCHEMBL2763242 0.75 SMN1; SMN2 (0.56) EPHX2FAAHHRH3MAPTSMN1; SMN2
SCHEMBL19610149 0.75 KMT2A (0.46) EPHX2SRD5A1SRD5A2
SCHEMBL20455794 0.74 MEN1 (0.48) EPHX2FAAHHRH3AADACMAPT
SCHEMBL16902836 0.74 MEN1 (0.48) EPHX2FAAHHRH3AADACMAPT
SCHEMBL14048083 0.74 HRH3 (0.63) HRH3MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed