SCHEMBL13265145

SCHEMBL13265145

Cc1ccc(C[C@@H]2CCCN2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HTR6 P50406 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA5 P30532 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL10132490 0.81 HTR6 (0.46) POLBHTR6CHRNA3
SCHEMBL19590964 0.73 CHRNB2 (0.40) POLBHTR6CHRNB2CHRNB4CHRNA3
SCHEMBL9520411 0.72 POLB (0.49) POLBHTR6HSD17B10CHRNB4CHRNA3
SCHEMBL10132336 0.71 POLB (0.61) POLBHTR6CHRNB2CHRNA4
SCHEMBL19654759 0.71 POLB (0.61) POLBHTR6CHRNB2CHRNA4
SCHEMBL31189119 0.70 POLB (0.50) POLBHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL1485223 0.69 HTR6 (0.55) POLBHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL20109493 0.69 HTR6 (0.55) POLBHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL10272588 0.68 POLB (0.61) POLBHTR6CHRNB4CHRNA3
SCHEMBL168722 0.68 CHRM2 (0.46) MEN1KMT2AHSD17B10CHRNB2CHRNA4

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-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed