SCHEMBL29100113

SCHEMBL29100113

O=Cc1ccc2c(c1)CCCN2CCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 4/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
SMAD3 P84022 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A3 P47895 4/20 0.41
CHRM2 P08172 6/20 0.40
CHRM4 P08173 6/20 0.40
CHRM1 P11229 6/20 0.40
CHRM3 P20309 6/20 0.40

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
SCHEMBL19873004 0.86 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL21248477 0.85 MEN1 (0.58) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7487255 0.83 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL18902663 0.83 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL10689705 0.82 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2118792 0.81 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7035556 0.81 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2203358 0.81 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL10691421 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1105690 0.81 MEN1 (0.53) ALDH1A1MEN1KMT2AMAPTGAA

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-116969981-A Dihydroquinoline compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-10-31 CN disclosed