SCHEMBL6920478

SCHEMBL6920478

CCC(C)(CNC(=O)c1cnc(-n2cnc(C)c2)c(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NR2E1 Q9Y466 4/20 0.38
CXCR3 P49682 11/20 0.38
CNR1 P21554 1/20 0.37
HPGD P15428 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL11902113 0.77 P2RX7 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901828 0.71 P2RY12 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920482 0.70 P2RX7 (0.43) P2RY12
Lithium Ion SCHEMBL1672091 0.69 PDE4A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758948 0.68 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31142937 0.61 SMN1; SMN2 (0.68) CXCR3P2RY12
SCHEMBL31729819 0.61 NR2E1 (0.81) NR2E1
SCHEMBL24970972 0.60 CXCR3 (0.63) CXCR3P2RY12
SCHEMBL31142964 0.60 CXCR3 (0.63) CXCR3P2RY12
SCHEMBL19272800 0.60 CYP1A2 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 WO disclosed