SCHEMBL29050285

SCHEMBL29050285

CC1CNCCN1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.42
SOS1 Q07889 1/20 0.41
GBA1 P04062 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTR3A P46098 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH1 P35367 2/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL3138014 0.85 HRH3 (0.46) HRH3KCNH2
SCHEMBL3138004 0.85 HRH3 (0.46) HRH3KCNH2
SCHEMBL3140091 0.85 HRH3 (0.46) HRH3KCNH2
SCHEMBL7489800 0.84 ALDH1A1 (0.59) ALDH1A1GBA1SIGMAR1KDM4EHRH3
SCHEMBL28865568 0.84 ALDH1A1 (0.41) ALDH1A1SIGMAR1KDM4EHRH3MEN1
SCHEMBL104186 0.84 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL104699 0.84 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL104187 0.84 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL14528988 0.84 KDM4E (0.45) ALDH1A1SOS1SIGMAR1KDM4E
SCHEMBL17927250 0.84 KDM4E (0.45) ALDH1A1SOS1SIGMAR1KDM4E

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-116568301-A Bicyclic compounds for treating diseases and uses thereof 雅斯娜制药公司 2023-08-08 CN disclosed