SCHEMBL9535285

SCHEMBL9535285

CN1CCC(Nc2nc3cccnc3n2CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
RET P07949 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.40
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL9536526 0.86 NR4A2 (0.47) OPRM1OPRD1OPRK1CNR2MAPT
SCHEMBL9536525 0.85 MAPT (0.42) OPRM1OPRD1OPRK1RETMAPT
SCHEMBL9537229 0.85 SSTR5 (0.56) MAPTKDM4EPOLBNR4A2KCNH2
SCHEMBL9535525 0.85 NOS2 (0.57) MAPTKDM4EHTR3EHTR3BHTR3A
SCHEMBL9535868 0.84 SLC6A9 (0.44) RETMAPTKDM4EKCNH2
SCHEMBL11473098 0.84 SSTR5 (0.52) OPRM1OPRD1OPRK1MAPTPDE4B
Hydrochloric Acid SCHEMBL10384124 0.84 SLC6A9 (0.44) RETMAPTKDM4EKCNH2
SCHEMBL10697050 0.82 MAPT (0.44) OPRM1OPRD1OPRK1MAPTPDE4B
SCHEMBL9535360 0.82 HRH1 (0.54) OPRM1OPRD1OPRK1MAPTHTR1A
SCHEMBL11480609 0.81 SSTR5 (0.57) OPRM1OPRD1OPRK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed