SCHEMBL19735962

SCHEMBL19735962

CN[C@@H]1C(F)(F)CCC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NAMPT P43490 6/20 0.38
RECQL P46063 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
SCHEMBL22015497 0.85 EPHX2 (0.38) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL31184369 0.84 GPR119 (0.39) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL19641350 0.83 GPR119 (0.37) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL16925393 0.83 GPR119 (0.37) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL30929681 0.83 GPR119 (0.37) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL20951857 0.76 EPHX1 (0.46) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL21807018 0.75 USP2 (0.49) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL28499349 0.75 USP2 (0.49) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL6228410 0.74 USP2 (0.55) EPHX2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL13858387 0.74 HPGD (0.48) EPHX2USP2SMN1; SMN2EPHX1HPGD

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-2017216706-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2017-12-21 WO disclosed