SCHEMBL21028859

SCHEMBL21028859

Cc1ccccc1Cc1ccc(OCCNC2(C)CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
OPRL1 P41146 1/20 0.39
LTA4H P09960 9/20 0.39
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1B P28222 2/20 0.38
HTR1D P28221 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
HRH1 P35367 1/20 0.37

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
SCHEMBL22995062 0.83 LTA4H (0.41) L3MBTL1LTA4HFFAR1KDM4EMEN1
SCHEMBL20803021 0.82 LTA4H (0.42) OPRL1LTA4HFFAR1KDM4EMEN1
SCHEMBL19034507 0.70 SLC5A1 (0.43) L3MBTL1LTA4HMEN1KMT2A
SCHEMBL22995059 0.70 SLC5A1 (0.59) L3MBTL1LTA4HKDM4EMEN1ALDH1A1
SCHEMBL21029204 0.68 LTA4H (0.46) LTA4HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL9234531 0.68 LTA4H (0.49) LTA4H
SCHEMBL21218509 0.68 LMNA (0.55) L3MBTL1LTA4H
SCHEMBL8095627 0.67 LTA4H (0.53) LTA4HFFAR1
SCHEMBL20803510 0.67 SLC5A1 (0.60) L3MBTL1LTA4HDRD2DRD4DRD3
SCHEMBL28131751 0.66 LTA4H (0.64) L3MBTL1LTA4HMEN1ALDH1A1KMT2A

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-3489226-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 Lexicon Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed