SCHEMBL9538214

SCHEMBL9538214

O=C(O)CNCCn1c(NC2CCNCC2)nc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.41
PDE4B Q07343 4/20 0.39
PDE4D Q08499 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 2/20 0.39
OPRL1 P41146 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CNR2 P34972 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
ENPP2 Q13822 3/20 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
Hydrochloric Acid SCHEMBL9536739 0.99 NR4A2 (0.41) NR4A2KCNH2TP53PDE4BPDE4D
SCHEMBL10383150 0.87 ALOX15 (0.46) NR4A2KCNH2TP53LMNAALDH1A1
SCHEMBL9536526 0.83 NR4A2 (0.47) NR4A2KCNH2TP53PDE4BPDE4D
Oxalic Acid SCHEMBL9534482 0.83 SSTR5 (0.49) KCNH2TP53LMNAALDH1A1HPGD
Oxalic Acid SCHEMBL9539776 0.82 MAPT (0.42) NR4A2KCNH2TP53PDE4BPDE4D
Oxalic Acid SCHEMBL9539772 0.82 MAPT (0.42) NR4A2KCNH2TP53PDE4BPDE4D
SCHEMBL10383151 0.81 TP53 (0.41) NR4A2KCNH2TP53PDE4BPDE4D
Oxalic Acid SCHEMBL10383157 0.81 SSTR5 (0.47) KCNH2TP53LMNAALDH1A1HPGD
Oxalic Acid SCHEMBL9535458 0.80 MAPT (0.43) NR4A2KCNH2TP53OPRM1OPRD1
Oxalic Acid SCHEMBL9535461 0.80 MAPT (0.43) NR4A2KCNH2TP53OPRM1OPRD1

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