SCHEMBL5709377

SCHEMBL5709377

O=C(O)CCC1(c2ccc(OCc3ccccc3)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.44
FFAR4 Q5NUL3 4/20 0.44
KDM1A O60341 2/20 0.43
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
S1PR5 Q9H228 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5709462 0.90 KDM1A (0.45) FFAR1FFAR4KDM1ARXRARXRB
SCHEMBL5709343 0.89 KDM1A (0.46) KDM1ARXRARXRBRXRGMRGPRX4
SCHEMBL5709371 0.88 KDM1A (0.47) KDM1AMAOAMAOBSIGMAR1
SCHEMBL5709474 0.85 AR (0.40) FFAR1KDM1ARXRARXRBRXRG
SCHEMBL5709340 0.84 KDM1A (0.43) KDM1AMAOAMAOBSIGMAR1
SCHEMBL5709415 0.77 KCNK2 (0.41) FFAR4KDM1A
SCHEMBL5709411 0.77 LTA4H (0.38) KDM1A
SCHEMBL5709412 0.77 KDM1A (0.38) KDM1ARXRARXRBRXRGMAOA
SCHEMBL27660872 0.76 KDM1A (0.37) FFAR1KDM1AMAOAMAOB
SCHEMBL27660688 0.75 KDM1A (0.47) KDM1AMAOAMAOBSIGMAR1

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
CN-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed