SCHEMBL9536620

SCHEMBL9536620

Cc1nc[nH]c1CN1CCC(Nc2nc3cccnc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.41
DBF4 Q9UBU7 3/20 0.41
KCNH2 Q12809 2/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GBA1 P04062 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR6 P46095 1/20 0.38
SSTR5 P35346 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
DRD4 P21917 3/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 1/20 0.36
JAK1 P23458 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9534992 0.78 CDC7 (0.54) CDC7DBF4KCNH2POLBHRH3
Hydrochloric Acid SCHEMBL9535340 0.77 CDC7 (0.53) CDC7DBF4KCNH2POLBHRH3
SCHEMBL9687566 0.76 KCNH2 (0.42) CDC7DBF4KCNH2LMNAMAPT
SCHEMBL8135558 0.74 KCNH2 (0.45) CDC7DBF4KCNH2HRH3DRD2
SCHEMBL10384096 0.74 SLC6A9 (0.43) KCNH2LMNAMAPTSMN1; SMN2SSTR5
SCHEMBL17207709 0.73 ACHE (0.35) LMNAMAPTPOLBSMN1; SMN2HRH3
SCHEMBL9689825 0.73 CDC7 (0.47) CDC7DBF4KCNH2HRH3
SCHEMBL5054675 0.73 NOS2 (0.62) LMNAMAPTSMN1; SMN2HTTKMT2A
Hydrochloric Acid SCHEMBL9535454 0.73 KCNH2 (0.51) CDC7DBF4KCNH2HRH3
SCHEMBL9536746 0.72 KCNH2 (0.46) CDC7DBF4KCNH2LMNAMAPT

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 1 patent. 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