SCHEMBL7361829

SCHEMBL7361829

CC(C)OC(=O)c1cccc2c1ncn2CCCCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 4/20 0.37
ALDH1A1 P00352 2/20 0.37
NR3C1 P04150 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PRPS1 P60891 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
ALOX15 P16050 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
SCHEMBL7360918 0.85 CNR1 (0.43) MAPTKDM4ENPSR1POLBSMN1; SMN2
SCHEMBL7355990 0.81 EGLN3 (0.40) MAPTKDM4ESMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL7357414 0.80 PRPS1 (0.38) MAPTKDM4ESMN1; SMN2LMNAHTT
SCHEMBL7353986 0.80 KDM4E (0.36) MAPTKDM4ESMN1; SMN2LMNAHTT
SCHEMBL7424139 0.79 SIGMAR1 (0.42)
SCHEMBL7355082 0.77 EGLN1 (0.45) MAPTKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL7359893 0.76 KMT2A (0.43) MAPTKDM4EPOLBL3MBTL1LMNA
SCHEMBL7356719 0.75 HPGD (0.44) MAPTKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL7358428 0.74 EGLN1 (0.40) KDM4ENPSR1NPC1SMN1; SMN2LMNA
SCHEMBL13668133 0.74 TSHR (0.39) MAPTKDM4ENPSR1POLBL3MBTL1

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