SCHEMBL22170641

SCHEMBL22170641

BCCc1ccc(OC2CN(N)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 4/20 0.34
CRHBP P24387 3/20 0.34
CRHR2 Q13324 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
CSNK2A1 P68400 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL22170436 0.87 SLC6A4 (0.41) KCNH2MCHR1ALDH1A1CRHBPCRHR2
SCHEMBL23286032 0.84 KCNH2 (0.36) KCNH2MCHR1ALDH1A1CRHBPCRHR2
SCHEMBL22170451 0.80 SLC6A4 (0.45) SLC6A4HTR6
SCHEMBL22170688 0.79 KCNH2 (0.35) KCNH2MCHR1ALDH1A1CRHBPCRHR2
SCHEMBL22170597 0.79 SLC6A4 (0.34) KCNH2MCHR1ALDH1A1CRHBPCRHR2
SCHEMBL22170662 0.75 KCNH2 (0.33) KCNH2MCHR1UTS2RHRH1CCR3
SCHEMBL22170706 0.75 KCNH2 (0.35) KCNH2MCHR1UTS2R
SCHEMBL22170557 0.75 KCNH2 (0.34) KCNH2MCHR1CRHBPCRHR2SMN1; SMN2
SCHEMBL22170667 0.74 KCNH2 (0.37) KCNH2MCHR1UTS2R
SCHEMBL22170611 0.74 KCNH2 (0.32) KCNH2MCHR1UTS2R

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-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed