SCHEMBL7354615

SCHEMBL7354615

COc1ccccc1OCC(=O)Nc1cc(C)c2c(c1)ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
CETP P11597 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
PARP1 P09874 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
DRD3 P35462 1/20 0.39
HTR7 P34969 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 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
SCHEMBL7360674 0.92 CYP2C19 (0.42) NOTUMNPC1RAB9AKDM4EGAA
SCHEMBL7351996 0.91 ALDH1A1 (0.42) NOTUMNPC1RAB9AKDM4EPARP1
Hydrochloric Acid SCHEMBL7360641 0.90 PARP1 (0.42) NPC1RAB9AKDM4EGAAPARP1
SCHEMBL7360194 0.89 MAPT (0.43) NPC1RAB9AKDM4ETSHRMAPT
SCHEMBL7352476 0.89 DRD3 (0.43) KDM4EGAAPARP1ABCB1USP2
SCHEMBL7355377 0.88 SMN1; SMN2 (0.44) KDM4EL3MBTL1USP2MAPTMEN1
SCHEMBL7354626 0.88 KDM4E (0.43) NPC1RAB9AKDM4EPARP1HSD17B10
SCHEMBL7357135 0.87 KDM4E (0.42) NOTUMNPC1RAB9AKDM4EGAA
SCHEMBL7355443 0.87 KDM4E (0.42) KDM4EPARP1HSD17B10MAPTDRD3
SCHEMBL7360192 0.87 KDM4E (0.42) KDM4EPARP1HSD17B10MAPTKMT2A

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