SCHEMBL6903965

SCHEMBL6903965

CN1C(=O)OCC1c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
MAOB P27338 2/20 0.38
FADS1 O60427 2/20 0.38
MAOA P21397 1/20 0.38
TACR1 P25103 3/20 0.37
MAPT P10636 2/20 0.36
MTOR P42345 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C2 P08235 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL3654550 0.83 CHRNA7 (0.43) MAOBMAOAKDM4ELMNASMN1; SMN2
SCHEMBL3652982 0.83 CHRNA7 (0.43) MAOBMAOAKDM4ELMNASMN1; SMN2
SCHEMBL3652984 0.83 CHRNA7 (0.43) MAOBMAOAKDM4ELMNASMN1; SMN2
SCHEMBL5281444 0.82 IDH1 (0.43)
SCHEMBL5286742 0.82 IDH1 (0.43)
SCHEMBL2615701 0.82 IDH1 (0.43)
SCHEMBL10308940 0.82 MTOR (0.38) MTOR
SCHEMBL8168600 0.82 MTOR (0.38) MTOR
SCHEMBL16181385 0.81 CYP19A1 (0.45) CYP19A1MAOBMAOAKDM4EHTT
SCHEMBL10308932 0.80 KMT2A (0.48) CYP19A1MAOBMAOAMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 WO disclosed