SCHEMBL7036855

SCHEMBL7036855

NCCn1c(N2CCCNCC2)nc2c(OC(N)=O)cccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.40
HTR2C P28335 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SOS1 Q07889 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL7042935 0.96 HTR3A (0.42) HTR3AHTR2CJAK2JAK1TYK2
SCHEMBL7044695 0.92 HTR3A (0.40) HTR3AHTR2CCHRNB2CHRNA4SOS1
SCHEMBL7046777 0.90 HTR3A (0.39) HTR3ACHRNB2CHRNA4
SCHEMBL7037841 0.90 HTR3A (0.38) HTR3A
SCHEMBL7045753 0.90 HTR3A (0.38) HTR3AHTR2CCHRNB2CHRNA4SOS1
SCHEMBL7042010 0.89 FLT3 (0.41) HTR3ACHRNB2CHRNA4SOS1PIM1
SCHEMBL7042964 0.88 HTR3A (0.42) HTR3AHTR2CSOS1PIM1
SCHEMBL7041533 0.87 HTR3A (0.40) HTR3A
SCHEMBL7043340 0.87 CHRNB2 (0.39) HTR3ACHRNB2CHRNA4PRKCAPRKCQ
SCHEMBL7046613 0.86 HTR3A (0.40) HTR3A

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-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
EP-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed