SCHEMBL20172578

SCHEMBL20172578

CCCCc1ccc(OCCNC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.55
HTR1D P28221 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
S1PR2 O95136 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48

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
SCHEMBL10895841 0.89 ALDH1A1 (0.64) HTR1BHTR1DL3MBTL1ALDH1A1MEN1
SCHEMBL2903634 0.89 L3MBTL1 (0.56) HTR1BL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16933991 0.87 LMNA (0.62) L3MBTL1ALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL12377087 0.86 L3MBTL1 (0.57) HTR1BHTR1DL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12377085 0.84 HTR1B (0.60) HTR1BHTR1DL3MBTL1SMN1; SMN2LMNA
SCHEMBL19043546 0.83 MEN1 (0.63) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL18896254 0.83 LMNA (0.61) L3MBTL1ALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL2910101 0.82 ACACB (0.56) HTR1BHTR1DL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17060454 0.82 MEN1 (0.66) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL17060482 0.82 MEN1 (0.66) ALDH1A1SMN1; SMN2MEN1USP2LMNA

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-3323812-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS Parion Sciences, Inc. (US) 2018-05-23 EP disclosed