SCHEMBL22018476

SCHEMBL22018476

Cc1cc(I)nc(N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
HCRTR1 O43613 12/20 0.46
HCRTR2 O43614 12/20 0.46
NCF1 P14598 1/20 0.43
CHRM4 P08173 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1672993 0.91 HRH3 (0.52) HRH3HCRTR1HCRTR2CHRM4
SCHEMBL21963535 0.91 HRH3 (0.52) HRH3HCRTR1HCRTR2CHRM4
SCHEMBL22018288 0.80 ALDH1A1 (0.46) HCRTR1HCRTR2TSHRHTT
SCHEMBL6096373 0.74 HRH3 (0.60) HRH3TSHR
SCHEMBL22018289 0.73 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL5242542 0.72 FUCA1 (0.64) HRH3
SCHEMBL27400030 0.70 LMNA (0.56) HRH3
SCHEMBL22018189 0.69 ALDH1A1 (0.51) HCRTR1HCRTR2CHRM4TSHRHTT
SCHEMBL22018202 0.69 ALDH1A1 (0.51) HCRTR1HCRTR2CHRM4TSHRHTT
SCHEMBL21064724 0.68 FUCA1 (0.55) HRH3

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-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 WO disclosed