SCHEMBL194952

SCHEMBL194952

COc1n[c]ccc1-n1cnc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.41
PSEN2 P49810 18/20 0.41
APH1B Q8WW43 18/20 0.41
NCSTN Q92542 18/20 0.41
APH1A Q96BI3 18/20 0.41
PSENEN Q9NZ42 18/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C8 P10632 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
SCHEMBL6127800 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13457630 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512985 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2451209 0.73 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909536 0.73 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154721 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124261 0.71 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12668349 0.71 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12258199 0.70 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154790 0.70 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed