SCHEMBL8408803

SCHEMBL8408803

NC(=O)C1CCOC(c2cc(F)cc(OCc3ccccc3)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 3/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
SCN3A Q9NY46 2/20 0.39
SPHK1 Q9NYA1 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 2/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FFAR1 O14842 1/20 0.37
SPHK2 Q9NRA0 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
SCHEMBL8410986 0.92 S1PR5 (0.41) KCNH2RAB9AMAOBMEN1KMT2A
SCHEMBL8411227 0.82 FFAR1 (0.37) KCNH2NPC1RAB9AMAOBOPRM1
SCHEMBL8409277 0.81 FFAR1 (0.39) KCNH2NPC1RAB9AMAOBMEN1
SCHEMBL8412154 0.80 FFAR1 (0.35) KCNH2MAOBMEN1KMT2AMAOA
SCHEMBL8410875 0.78 HCAR1 (0.32)
SCHEMBL31624021 0.77 KDM1A (0.45) KCNH2NPC1RAB9AMAOBOPRK1
SCHEMBL31623869 0.76 FFAR1 (0.39) KCNH2NPC1RAB9AMAOBOPRM1
SCHEMBL8781522 0.76 KCNH2 (0.44) KCNH2NPC1RAB9AMAOBSCN3A
SCHEMBL9940281 0.74 TSHR (0.41) KMT2ACYP2C19SMN1; SMN2
SCHEMBL8953741 0.73 KMT2A (0.50) MAOBMEN1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed