SCHEMBL8164751

SCHEMBL8164751

CC(Oc1ccc(Br)cc1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LDHA P00338 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 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
SCHEMBL4494684 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNATSHRMAPK1
SCHEMBL6225236 0.83 LMNA (0.51) L3MBTL1ATMALDH1A1HRH3LMNA
SCHEMBL6731066 0.82 SIGMAR1 (0.43) POLBL3MBTL1ALDH1A1HRH3LMNA
SCHEMBL1986255 0.82 MAPT (0.36) ALDH1A1HRH3SMN1; SMN2LTA4HSLC6A2
SCHEMBL14966522 0.81 CHRNB4 (0.47) ALDH1A1LMNATSHRLTA4HSLC6A2
SCHEMBL4322787 0.81 CHRNB4 (0.47) ALDH1A1LMNATSHRLTA4HSLC6A2
SCHEMBL2213888 0.80 LTA4H (0.36) ALDH1A1HRH3SMN1; SMN2LTA4HCHRNB4
SCHEMBL1989353 0.80 LTA4H (0.36) ALDH1A1SLC6A4HRH3SMN1; SMN2LTA4H
SCHEMBL3160983 0.79 CHRNB4 (0.49) ALDH1A1HRH3LMNALTA4HSLC6A2
SCHEMBL5115964 0.79 ALDH1A1 (0.33) POLBALDH1A1SLC6A4LMNATSHR

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
US-6018056-A Intermediates and processes for preparing benzo (b) thiophenes ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed