SCHEMBL7361063

SCHEMBL7361063

Cc1cc(NC(=O)C=Cc2ccccc2)cc2ncn(CCCCN3CC=C(c4ccccc4)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.39
ACHE P22303 11/20 0.39
EGFR P00533 3/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR1A P08908 2/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7361065 1.00 BCHE (0.39) BCHEACHEEGFRMMP1MMP2
SCHEMBL7358168 0.92 KDM4E (0.40) KDM4EMAPTDRD3HTR1ASIGMAR1
SCHEMBL7358164 0.92 KDM4E (0.40) KDM4EMAPTDRD3HTR1ASIGMAR1
SCHEMBL7358914 0.90 KDM4E (0.40) KDM4EMAPTDRD3HTR1ASIGMAR1
SCHEMBL7354812 0.88 KDM4E (0.42) KDM4EMAPTHTR1ASIGMAR1
Hydrochloric Acid SCHEMBL7354409 0.87 KDM4E (0.42) KDM4EMAPTHTR1ASIGMAR1
SCHEMBL7354626 0.86 KDM4E (0.43) KDM4EMAPTHTR1ASIGMAR1
SCHEMBL7355443 0.85 KDM4E (0.42) KDM4EMAPTDRD3HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL7355986 0.85 SIGMAR1 (0.44) ACHEKDM4EMAPTDRD3HTR1A
SCHEMBL7361901 0.85 KDM4E (0.41) KDM4EMAPTDRD3HTR1ASIGMAR1

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