SCHEMBL7352476

SCHEMBL7352476

COc1ccccc1C(=O)Nc1cc(C)c2c(c1)ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
MAPK14 Q16539 2/20 0.41
PARP1 P09874 1/20 0.41
ABCB1 P08183 2/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 3/20 0.39
HTR7 P34969 1/20 0.39
ACHE P22303 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL7354615 0.89 NOTUM (0.44) DRD3PARP1ABCB1MAPTKDM4E
Hydrochloric Acid SCHEMBL7355986 0.87 SIGMAR1 (0.44) DRD3MAPTKDM4EKMT2AHSD17B10
SCHEMBL7354812 0.86 KDM4E (0.42) PARP1MAPTKDM4EKMT2AHSD17B10
SCHEMBL7360674 0.86 CYP2C19 (0.42) DRD3PARP1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7354409 0.86 KDM4E (0.42) PARP1MAPTKDM4EKMT2AHSD17B10
SCHEMBL7354626 0.85 KDM4E (0.43) PARP1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7360642 0.85 HTR1A (0.41) DRD3PARP1MAPTKDM4EKMT2A
SCHEMBL7355443 0.84 KDM4E (0.42) DRD3PARP1MAPTKDM4ESMN1; SMN2
SCHEMBL7361126 0.84 KMT2A (0.42) DRD3PARP1MAPTKDM4ESMN1; SMN2
SCHEMBL7360192 0.84 KDM4E (0.42) PARP1MAPTKDM4ESMN1; SMN2KMT2A

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
WO-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed