SCHEMBL16054697

SCHEMBL16054697

OC[C@H](O)Cc1c(F)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
CYP2A13 Q16696 1/20 0.41
CACNA1G O43497 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16054505 0.87 AKR1B1 (0.42) GAATAAR1KMT2AMAPTALDH1A1
SCHEMBL10058270 0.87 GAA (0.37) GAATAAR1BACE1KDM4EHTT
SCHEMBL10325433 0.87 AKR1B1 (0.42) GAATAAR1KMT2AMAPTALDH1A1
SCHEMBL2428955 0.80 GAA (0.53) GAATAAR1BACE1KDM4EHTT
SCHEMBL697704 0.77 TAAR1 (0.67) GAATAAR1BACE1KDM4EHTT
SCHEMBL6883141 0.76 TAAR1 (0.55) GAATAAR1BACE1KDM4EHTT
SCHEMBL3265635 0.73 TAAR1 (0.68) GAATAAR1BACE1KDM4EHTT
SCHEMBL2222710 0.73 TAAR1 (0.56) GAATAAR1BACE1HTTATM
SCHEMBL6201835 0.72 THRB (0.36) GAATAAR1BACE1KDM4EALDH1A1
SCHEMBL11454449 0.72 TAAR1 (0.47) GAATAAR1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968211-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
WO-2014142519-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2014-09-18 WO disclosed