SCHEMBL5709340

SCHEMBL5709340

N#CCCC1(c2ccc(OCc3ccccc3)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
CCR1 P32246 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
MAOB P27338 8/20 0.39
MAOA P21397 3/20 0.37
GUSB P08236 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL5709371 0.88 KDM1A (0.47) KDM1ASIGMAR1MAOBMAOAHRH3
SCHEMBL5709343 0.87 KDM1A (0.46) KDM1ASIGMAR1MAOBMAOAHRH3
SCHEMBL5709377 0.84 FFAR1 (0.44) KDM1ASIGMAR1MAOBMAOA
SCHEMBL5709345 0.83 KCNA5 (0.42) KDM1ACCR1AR
SCHEMBL5709462 0.82 KDM1A (0.45) KDM1ASIGMAR1MAOBMAOAHRH3
SCHEMBL27660688 0.81 KDM1A (0.47) KDM1ACCR1SIGMAR1MAOBMAOA
SCHEMBL5709474 0.77 AR (0.40) KDM1AMAOBHRH3AR
SCHEMBL5709389 0.75 KDM1A (0.39) KDM1ACCR1SIGMAR1
SCHEMBL5709358 0.75 KDM1A (0.39) KDM1ACCR1SIGMAR1
SCHEMBL5709491 0.75 KDM1A (0.39) KDM1ACCR1SIGMAR1

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-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