SCHEMBL7907657

SCHEMBL7907657

CCc1ccc([C@@H]2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.64
PSEN1 P49768 1/20 0.64
PSEN2 P49810 1/20 0.64
APH1B Q8WW43 1/20 0.64
NCSTN Q92542 1/20 0.64
APH1A Q96BI3 1/20 0.64
PSENEN Q9NZ42 1/20 0.64

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
SCHEMBL10237219 0.90 CYP2C9 (0.66) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237217 0.90 CYP2C9 (0.66) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236641 0.90 CYP2C9 (0.66) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236646 0.90 CYP2C9 (0.66) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL722640 0.90 CYP2C9 (0.66) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237278 0.90 CYP2C9 (0.65) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237260 0.90 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237276 0.90 CYP2C9 (0.65) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237261 0.90 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237231 0.86 CYP2C9 (0.69) CYP2C9PSEN1PSEN2APH1BNCSTN

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-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed