SCHEMBL6823927

SCHEMBL6823927

CN1CC[C@@H](Oc2cc(C(F)(F)F)ccc2C(N)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LIPG Q9Y5X9 6/20 0.44
LIPC P11150 2/20 0.44
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
LPL P06858 1/20 0.43
SCD O00767 3/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Hydrochloric Acid SCHEMBL5743521 0.99 CNR2 (0.47) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3713690 0.92 CNR2 (0.54) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL477818 0.83 LIPG (0.54) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL477819 0.83 LIPG (0.54) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10370107 0.81 HTR2C (0.56)
Hydrochloric Acid SCHEMBL5743525 0.81 UTS2R (0.44) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6636434 0.80 KDM4E (0.45) KDM4EALDH1A1MAPTSMN1; SMN2CHRM4
SCHEMBL10370921 0.79 KCNH2 (0.52) KDM4ESMN1; SMN2CHRM4CHRM3
SCHEMBL10565941 0.78 HTR2C (0.51) CNR2MAPTSMN1; SMN2CHRM4CHRM3
SCHEMBL5742176 0.77 UTS2R (0.51) KDM4EMAPTSCDLMNANPSR1

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-2004043366-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed