SCHEMBL5025942

SCHEMBL5025942

COc1ccc2c(c1)[C@@]1(C)CCN(C)[C@H]1N2C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.69
BCHE P06276 8/20 0.69
KDM4E B2RXH2 6/20 0.67
CYP2D6 P10635 3/20 0.67
TP53 P04637 2/20 0.67
CYP1A2 P05177 2/20 0.67
ALOX15 P16050 2/20 0.67
HIF1A Q16665 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MTOR P42345 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
THPO P40225 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
PTGS1 P23219 1/20 0.67

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
SCHEMBL30839709 1.00 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL8321657 1.00 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL12082976 1.00 ACHE (0.69) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL8883300 0.89 ACHE (0.56) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL9028194 0.89 ACHE (0.56) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL8669894 0.89 ACHE (0.56) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL8827788 0.86 ACHE (0.67) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL2732498 0.86 ACHE (0.67) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL9541044 0.86 ACHE (0.60) ACHEBCHEKDM4ECYP2D6TP53
SCHEMBL9541053 0.86 ACHE (0.60) ACHEBCHEKDM4ECYP2D6TP53

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-1349858-B1 AGENTS USEFUL FOR REDUCING AMYLOID PRECURSOR PROTEIN AND TREATING DEMANTIA AND METHODS OF USE THEREOF US GOV HEALTH & HUMAN SERV (US) 2008-08-27 EP claimed
US-7153882-B2 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-12-26 US claimed