SCHEMBL9539259

SCHEMBL9539259

O=C(O)NCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.52
TP53 P04637 3/20 0.49
ENPP2 Q13822 4/20 0.48
DRD4 P21917 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
MAPT P10636 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.46
NTSR1 P30989 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GBA1 P04062 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45

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
Oxalic Acid SCHEMBL9534482 0.88 SSTR5 (0.49) SSTR5TP53ENPP2DRD4DRD2
SCHEMBL9537229 0.88 SSTR5 (0.56) SSTR5ENPP2DRD4DRD2DRD3
SCHEMBL9536516 0.86 SSTR5 (0.52) SSTR5TP53DRD4DRD2DRD3
SCHEMBL9535999 0.85 SSTR5 (0.56) SSTR5DRD4DRD2DRD3MAPT
Oxalic Acid SCHEMBL10383157 0.85 SSTR5 (0.47) SSTR5TP53ENPP2DRD4DRD2
Hydrochloric Acid SCHEMBL9538066 0.85 SSTR5 (0.52) SSTR5TP53DRD4DRD2DRD3
Oxalic Acid SCHEMBL10383159 0.84 ALDH1A1 (0.49) SSTR5TP53ENPP2DRD4DRD2
Oxalic Acid SCHEMBL10383158 0.84 ALDH1A1 (0.49) SSTR5TP53ENPP2DRD4DRD2
SCHEMBL10384106 0.83 SSTR5 (0.47) SSTR5TP53ENPP2DRD4DRD2
SCHEMBL11471515 0.81 TP53 (0.61) SSTR5TP53ENPP2MAPTSIGMAR1

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