SCHEMBL14067178

SCHEMBL14067178

Oc1ncc(OCc2ccccc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTGS2 P35354 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
P4HTM Q9NXG6 1/20 0.57
MAOB P27338 4/20 0.52
ALKBH1 Q13686 5/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL20550846 0.81 P4HTM (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6534698 0.80 CYP1A2 (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL504815 0.80 MAOB (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1713718 0.80 P4HTM (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL18297527 0.80 MAOB (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL457443 0.80 P4HTM (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27965967 0.79 NAAA (0.65) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28646599 0.78 RAB9A (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL875608 0.78 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL24323560 0.77 P4HTM (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed