SCHEMBL4741952

SCHEMBL4741952

Cc1noc(CCCBr)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.49
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A3 Q01959 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
PPARA Q07869 1/20 0.30

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
SCHEMBL9965035 0.81 SMN1; SMN2 (0.44) SIRT2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8554367 0.79 SIRT2 (0.47) SIRT2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL10094744 0.79 PPARA (0.46) SIRT2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL3256199 0.78
SCHEMBL507580 0.75 SIRT2 (0.45) SIRT2SMN1; SMN2
SCHEMBL19348179 0.75 MAPT (0.40) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL9736792 0.74
SCHEMBL2608946 0.72 MAPT (0.44) SIRT2MAPTCYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL475088 0.72 HTR1A (0.44) SIRT2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL16373731 0.71 MAPT (0.43) SIRT2MAPTCYP2C9CYP2C19SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096094-A1 BICYCLOR[2.2.1]HEPT-7-YLAMINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR MODULATORS ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096094-A1 BICYCLOR[2.2.1]HEPT-7-YLAMINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR MODULATORS ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed