SCHEMBL4621183

SCHEMBL4621183

O=C1CCN(C(=O)OCc2ccccc2)C(I)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ELANE P08246 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1170552 0.85 HTR2C (0.54) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL31329634 0.85 HTR2C (0.54) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL754805 0.85 HTR2C (0.54) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL25356833 0.85 SMN1; SMN2 (0.49) PARP1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL25385249 0.85 SMN1; SMN2 (0.49) PARP1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL28202599 0.84 PARP1 (0.48) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL11179612 0.84 NPC1 (0.51) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL3155289 0.83 PARP1 (0.53) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL14630965 0.83 PSEN1 (0.53) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL20449099 0.83 PARP1 (0.53) PARP1PSEN1PSEN2APH1BNCSTN

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-1883636-A1 SUBSTITUTED PIPERIDINE ANTAGONIST OF HI RECEPTOR TO BE USED FOR THE TREATMENT OF RHINITIS GLAXO GROUP LIMITED (GB) 2008-02-06 EP disclosed
WO-2006125665-A1 SUBSTITUTED PIPERIDINE ANTAGONIST OF HI RECEPTOR TO BE USED FOR THE TREATMENT OF RHINITIS GLAXO GROUP LIMITED (GB) 2006-11-30 WO disclosed