SCHEMBL28481925

SCHEMBL28481925

N#CC(CCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.59
DRD4 P21917 2/20 0.59
OPRM1 P35372 2/20 0.59
DRD3 P35462 2/20 0.59
CYP2D6 P10635 1/20 0.59
KCNA3 P22001 8/20 0.53
ATM Q13315 1/20 0.52
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CCR1 P32246 3/20 0.47
CCR3 P51677 2/20 0.46
CHRM3 P20309 1/20 0.44

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
SCHEMBL8046070 0.88 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL6258542 0.87 DRD2 (0.68) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL2066381 0.83 ATM (0.55) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL1508086 0.80 CCR1 (0.42) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL16619486 0.79 DRD2 (0.57) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL930701 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL12440029 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL1341963 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL4014770 0.79 DRD2 (0.65) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL2312446 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104614468-B Method for separating imidafenacin and related substances thereof by high performance liquid chromatography 北京万全德众医药生物技术有限公司 2020-11-03 CN claimed
CN-104614468-B Method for separating imidafenacin and related substances thereof by high performance liquid chromatography 北京万全德众医药生物技术有限公司 2020-11-03 CN disclosed