SCHEMBL14893333

SCHEMBL14893333

CC(C)(C)OC(=O)N1CCC(CCCO)C(F)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.42
NR1H2 P55055 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.39
DPP4 P27487 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
FAAH O00519 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL27008159 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL15227944 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL26978402 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL15227941 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL26978427 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL27008212 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL29099052 0.92 HPGD (0.46) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL15227465 0.86 NR1H2 (0.49) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL15716049 0.86 NR1H2 (0.49) HPGDRECQLNR1H2MEN1ALDH1A1
SCHEMBL1991642 0.86 NR1H2 (0.49) HPGDRECQLNR1H2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
WO-2013062835-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2013062835-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed