SCHEMBL29039484

SCHEMBL29039484

N#CCc1ccc(N2CCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
AOC3 Q16853 2/20 0.34
PRMT5 O14744 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL19903206 0.83 GRM2 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15498499 0.76 SRC (0.47) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27909230 0.74 CHRNB2 (0.44) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL10233103 0.72 MAPT (0.49) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL17689141 0.72 MAPT (0.49) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL17115672 0.71 AOC3 (0.46) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL151047 0.70 MAPT (0.46) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL148390 0.69 MAPT (0.49) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL151160 0.69 MAPT (0.49) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL30117237 0.69 KMT2A (0.44) MAPTMEN1KMT2AHRH3

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
CN-116262739-A Nitrogen-containing aryl derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-16 CN disclosed