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SCHEMBL8675246

SCHEMBL8675246

O=C(Nc1nnn[nH]1)c1c(CCc2cc(Br)ccc2OCc2ccccc2)ccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.44
▸ CCR5 P51681 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP28 Q96RU2 1/20 0.41
▸ USP25 Q9UHP3 1/20 0.41
▸ PTGER1 P34995 7/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL8326541 0.85 LRRK2 (0.47) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL8680269 0.81 PTGER1 (0.48) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL11561500 0.74 LRRK2 (0.63) LRRK2PTGER1
SCHEMBL8675277 0.73 PTGER1 (0.52) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL8679053 0.71 PTGER1 (0.51) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL8680267 0.71 LRRK2 (0.49) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL11555954 0.71 LRRK2 (0.54) LRRK2
SCHEMBL11563128 0.70 LRRK2 (0.63) LRRK2
SCHEMBL8409051 0.70 CCR5 (0.45) CCR5HTTALDH1A1SMN1; SMN2USP28
SCHEMBL8320385 0.70 CCR5 (0.45) CCR5HTTALDH1A1SMN1; SMN2USP28

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 — — US disclosed