SCHEMBL12292976

SCHEMBL12292976

NC(=O)[C@H](CN1CCC(O)CC1)c1ccc(I)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ KCNA3 P22001 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ USP14 P54578 1/20 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
SCHEMBL8225848 0.86 TACR2 (0.38) HTR7KCNA3OPRK1CYP2D6TERT
SCHEMBL2739268 0.86 AKT1 (0.41) GRM2OPRK1CYP2D6
SCHEMBL2739269 0.86 AKT1 (0.41) GRM2OPRK1CYP2D6
SCHEMBL10258343 0.86 GRM2 (0.35) GRM2KCNA3OPRM1HSD11B1TERT
SCHEMBL2739260 0.84 AKT1 (0.38) —
SCHEMBL2738649 0.84 AKT1 (0.38) —
SCHEMBL2738773 0.82 KCNA3 (0.38) HTR2AHTR2CHTR7HTR6KCNA3
SCHEMBL17030316 0.82 PDE2A (0.35) HTR2AHTR2CGRM2KCNA3OPRM1
SCHEMBL2738791 0.81 PDE2A (0.43) —
SCHEMBL2738777 0.79 TACR2 (0.47) HTR7OPRK1CYP2D6

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
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 — — EP disclosed
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