SCHEMBL5503522

SCHEMBL5503522

CN1CCC(N2c3ccccc3Oc3cc(C(=O)O)cc(O)c32)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.46
KDM2B Q8NHM5 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CHRM3 P20309 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
OXTR P30559 1/20 0.33

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
SCHEMBL5507953 0.89 P2RX4 (0.46) P2RX4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5503754 0.85 OPRM1 (0.45) MAPT
SCHEMBL5120140 0.84 P2RX4 (0.49) P2RX4KDM2BMEN1KMT2AMAPT
SCHEMBL5507813 0.78 CHRM4 (0.43) MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL5503010 0.76 PIM1 (0.38) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL5115161 0.75 P2RX4 (0.49) P2RX4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5506035 0.73 KDM4E (0.47) MEN1KMT2AOXTR
SCHEMBL5125316 0.72 OPRD1 (0.45) P2RX4
SCHEMBL5505687 0.71 OPRM1 (0.45) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL5118932 0.71 NPC1 (0.43) P2RX4SMN1; SMN2OXTR

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-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP claimed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed