SCHEMBL5709447

SCHEMBL5709447

Fc1ccc(C2(CCCBr)CCc3ccc(Cl)cc32)cc1.OCCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.42
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
DRD2 P14416 5/20 0.32
KDM1A O60341 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL5709388 0.90 BCHE (0.42) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL5709423 0.87 BCHE (0.47) BCHEKDM1ACYP17A1CYP3A4CYP11B2
SCHEMBL5709349 0.85 BCHE (0.48) BCHEKDM1ACYP17A1CYP3A4CYP11B2
SCHEMBL5709328 0.79 KDM1A (0.37) BCHEDRD2KDM1A
SCHEMBL5709380 0.79 BCHE (0.36) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL5709355 0.77 BCHE (0.36) BCHEDRD2KDM1A
SCHEMBL5709350 0.77 KDM1A (0.38) BCHEDRD2KDM1A
SCHEMBL5709351 0.77 BCHE (0.43) BCHEKDM1ACYP17A1CYP3A4CYP11B2
SCHEMBL5709387 0.75 KDM1A (0.42) DRD2KDM1A
SCHEMBL5709521 0.75 KDM1A (0.42) DRD2KDM1A

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