SCHEMBL29959110

SCHEMBL29959110

CN1CCN(C(=O)c2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
HRH4 Q9H3N8 6/20 0.49
EPHX2 P34913 2/20 0.48
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCD O00767 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KCNH2 Q12809 2/20 0.42

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
SCHEMBL3402135 1.00 NR1H2 (0.52) NR1H2HRH4EPHX2PIK3CAMTOR
SCHEMBL6822196 0.87 KDM4E (0.46) LMNAALOX15TSHRMEN1KMT2A
SCHEMBL10155940 0.86 HPGD (0.48) LMNATSHRMEN1KMT2A
SCHEMBL31316989 0.85 PIK3CA (0.51) NR1H2HRH4PIK3CAMTORLMNA
SCHEMBL16047564 0.85 PIK3CA (0.51) NR1H2HRH4PIK3CAMTORLMNA
SCHEMBL3926057 0.84 HTT (0.52) TP53TSHR
SCHEMBL4287349 0.83 EPHX2 (0.48) EPHX2TSHRHSP90AA1
SCHEMBL15286036 0.83 HRH4 (0.49) HRH4EPHX2PIK3CAMTORLMNA
SCHEMBL24566019 0.82 CRBN (0.42) NR1H2TSHRSCD
SCHEMBL20682533 0.82 ALOX15 (0.57) HRH4EPHX2PIK3CAMTORLMNA

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-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 WO disclosed