SCHEMBL5722045

SCHEMBL5722045

O=C1CCCCC1OCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 2/20 0.46
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
TMEM97 Q5BJF2 1/20 0.42
GRM5 P41594 1/20 0.42
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPD P32754 1/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5722120 0.84 MAOB (0.42) MAOBMAOAIDO1AGXTCARM1
SCHEMBL3809154 0.82 PSEN1 (0.55) MAPTCYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL29918665 0.81 PSEN1 (0.54) MAOBMAOAMAPTNPSR1KDM4E
SCHEMBL25197523 0.77 PSEN1 (0.60) MAOBMAOAMAPTCYP2C9CYP2C19
SCHEMBL18616222 0.77 CARM1 (0.59) MAOBIDO1AGXTCARM1PRMT6
SCHEMBL30927142 0.77 PSEN1 (0.60) MAOBMAOAMAPTCYP2C9CYP2C19
SCHEMBL1810756 0.77 PSEN1 (0.60) MAOBMAOAMAPTCYP2C9CYP2C19
SCHEMBL5521345 0.75 CARM1 (0.54) MAOBMAOAIDO1AGXTCARM1
SCHEMBL11009316 0.74 IDO1 (0.41) MAOBIDO1CARM1PRMT6CYP1A2
SCHEMBL11795728 0.74 PTGS2 (0.48)

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-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed