SCHEMBL7361872

SCHEMBL7361872

O=C(OCc1ccccc1)C1CN1C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.48
ALDH1A1 P00352 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7361869 1.00 FKBP1A (0.48) FKBP1AALDH1A1PSEN1PSEN2APH1B
SCHEMBL17893034 0.82 FKBP1A (0.51) FKBP1AALDH1A1
SCHEMBL17896181 0.82 FKBP1A (0.51) FKBP1AALDH1A1
SCHEMBL8332542 0.82 FKBP1A (0.51) FKBP1AALDH1A1
SCHEMBL7423869 0.81 POLB (0.51) FKBP1AALDH1A1PSEN1PSEN2APH1B
SCHEMBL7802196 0.80 POLB (0.52) FKBP1AALDH1A1PSEN1PSEN2APH1B
SCHEMBL2300448 0.80 POLB (0.52) FKBP1AALDH1A1PSEN1PSEN2APH1B
SCHEMBL1864842 0.80 POLB (0.52) FKBP1AALDH1A1PSEN1PSEN2APH1B
SCHEMBL11264038 0.79 FKBP1A (0.53) FKBP1AALDH1A1
SCHEMBL16857515 0.79 POLB (0.52) FKBP1APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed