SCHEMBL5149586

SCHEMBL5149586

N#Cc1ccc(-n2ccc(CN3CCCCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
NOTUM Q6P988 1/20 0.43
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
USP14 P54578 2/20 0.38
AR P10275 2/20 0.38
JAK2 O60674 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL5185511 0.84 HRH3 (0.44) HRH3NOTUMCHRM1HRH2HRH1
SCHEMBL5149971 0.77 NOTUM (0.62) NOTUMARJAK2ALDH1A1LMNA
SCHEMBL23176209 0.76 NOTUM (0.45) NOTUMARJAK2ALDH1A1LMNA
SCHEMBL5184017 0.76 NOTUM (0.45) NOTUMARJAK2ALDH1A1LMNA
SCHEMBL151230 0.72 HRH3 (0.70) HRH3ALDH1A1SMN1; SMN2CCR2
SCHEMBL154169 0.72 HRH3 (0.70) HRH3ALDH1A1SMN1; SMN2CCR2
SCHEMBL150808 0.70 HRH3 (0.68) HRH3ALDH1A1SMN1; SMN2CCR2
SCHEMBL31010286 0.68 HRH3 (0.42) HRH3ALDH1A1MAPT
SCHEMBL2584832 0.67 ALDH1A1 (0.43) NOTUMJAK2ALDH1A1LMNAMAPT
SCHEMBL15935401 0.67 HTT (0.51) NOTUMARALDH1A1LMNAMAPT

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed