SCHEMBL6411892

SCHEMBL6411892

Cc1c(F)c(F)nc(N2CCN(C(=O)C3=NOC4(CCN(S(=O)(=O)c5cccc(C(F)(F)F)c5)CC4)C3)CC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
POLB P06746 1/20 0.42
CACNA1B Q00975 3/20 0.42
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
GBA1 P04062 2/20 0.41
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
SPR P35270 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2401597 0.82 KDM4E (0.51) GAACACNA1BHSD11B1L3MBTL1LMNA
SCHEMBL6411431 0.78 HTT (0.51) GAACACNA1BHSD11B1L3MBTL1LMNA
SCHEMBL2401334 0.78 CNR1 (0.51) GAACACNA1BLMNACNR1
SCHEMBL2405120 0.77 GAA (0.47) GAACACNA1BL3MBTL1LMNACNR1
SCHEMBL2400790 0.77 GAA (0.51) GAACACNA1BL3MBTL1LMNAHTT
SCHEMBL2403271 0.76 GAA (0.50) GAACACNA1BLMNAHTTCNR1
SCHEMBL6411436 0.73 GAA (0.50) GAACACNA1BHSD11B1L3MBTL1LMNA
SCHEMBL2401265 0.71 KDM4E (0.53) GAAPOLBL3MBTL1LMNAHTT
SCHEMBL2399309 0.71 KMT2A (0.47) GAAL3MBTL1LMNAHTTCNR1
SCHEMBL2400764 0.71 CNR1 (0.45) GAACACNA1BL3MBTL1LMNAHTT

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed