SCHEMBL30569552

SCHEMBL30569552

C=CC1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 1/20 0.32
HRH3 Q9Y5N1 3/20 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
SCHEMBL28043256 0.78 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL10029427 0.75 HRH3 (0.37) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL21562371 0.74 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL34468662 0.74 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL30523298 0.74 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL14246510 0.74 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL19346384 0.72 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL18499836 0.71 HRH3 (0.35) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL13038554 0.71 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL1012697 0.71 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1POLBMAPTHTT

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-116745288-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 CN disclosed