SCHEMBL20157086

SCHEMBL20157086

CCCNc1ccc(F)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.56
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TDO2 P48775 3/20 0.40
CHRNA7 P36544 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
FYN P06241 2/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
KIT P10721 1/20 0.37
IDH1 O75874 1/20 0.37

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
SCHEMBL30721187 0.84 HCAR3 (0.53) HCAR3MKNK1MKNK2GPR55KIT
SCHEMBL4748840 0.84 HCAR3 (0.53) HCAR3MKNK1MKNK2GPR55KIT
Hydrochloric Acid SCHEMBL3718104 0.82 ADRA2A (0.53) HCAR3MKNK1MKNK2GPR55KIT
Hydrochloric Acid SCHEMBL3938816 0.82 ADRA2A (0.53) HCAR3MKNK1MKNK2GPR55KIT
SCHEMBL20156855 0.81 FERMT2 (0.44) HCAR3TDO2MKNK1MKNK2GPR55
SCHEMBL10293613 0.78 HCAR3 (0.57) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL18307133 0.77 HCAR3 (0.56) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL13947117 0.77 HCAR3 (0.56) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL12963036 0.77 HCAR3 (0.56) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL12327198 0.77 HCAR3 (0.56) HCAR3HPGDSMN1; SMN2ALDH1A1LMNA

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed