SCHEMBL3716685

SCHEMBL3716685

O=C(O)N1CC(C(=O)N2CCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.46
HSD11B1 P28845 9/20 0.44
HSD11B2 P80365 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TFPI2 P48307 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3725686 0.95 HPGD (0.64) HPGDALDH1A1TSHRLMNAHTT
SCHEMBL2677816 0.81 ALDH1A1 (0.76) HPGDALDH1A1TSHRLMNAHTT
SCHEMBL20521101 0.81 HPGD (0.63) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL2676701 0.81 ALDH1A1 (0.76) HPGDALDH1A1TSHRLMNAHTT
SCHEMBL15322429 0.81 HPGD (0.63) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL28735731 0.81 HPGD (0.63) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL17255293 0.81 TSHR (0.49) HPGDALDH1A1TSHRLMNAHTT
SCHEMBL26124277 0.80 HPGD (0.68) HPGDALDH1A1TSHRLMNAHTT
SCHEMBL493733 0.80 HPGD (0.61) HPGDALDH1A1TSHRLMNAHTT
SCHEMBL19971623 0.78 TFPI2 (0.46) HPGDALDH1A1TSHRLMNAHTT

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-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed