SCHEMBL8021178

SCHEMBL8021178

C=C1CCCCN1C(C)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ACHE P22303 2/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL2873080 0.82 HSD11B1 (0.49) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL4083045 0.82 HSD11B1 (0.49) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL8021550 0.78 PSEN1 (0.47) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL8023232 0.74 PSEN1 (0.49) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL12197802 0.72
SCHEMBL8038056 0.71 HSD11B1 (0.40) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL14757380 0.70
SCHEMBL22365098 0.70
SCHEMBL14870537 0.70 PSEN1 (0.56) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL4298912 0.68 HSD11B1 (0.45) HSD11B1PSEN1PSEN2APH1BNCSTN

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-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 WO disclosed