SCHEMBL6819364

SCHEMBL6819364

OC(CN1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccccc2c2cc(Cl)ccc21

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.76
NLRP1 Q9C000 1/20 0.76
LMNA P02545 4/20 0.69
MAPT P10636 3/20 0.69
HTT P42858 2/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 2/20 0.69
GAA P10253 1/20 0.67
POLB P06746 2/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ATM Q13315 1/20 0.63
BACE1 P56817 1/20 0.59
MAPK1 P28482 2/20 0.58
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GLA P06280 1/20 0.56

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
SCHEMBL6816191 1.00 RAD52 (0.76) RAD52NLRP1LMNAMAPTHTT
SCHEMBL1306615 0.94 MEN1 (0.70) RAD52NLRP1LMNAMAPTHTT
SCHEMBL6823233 0.93 RAD52 (0.86) RAD52NLRP1LMNAMAPTHTT
SCHEMBL607619 0.93 LMNA (0.81) RAD52NLRP1LMNAMAPTHTT
SCHEMBL1305266 0.91 ATM (0.73) RAD52NLRP1LMNAMAPTHTT
SCHEMBL608269 0.89 LMNA (0.67) RAD52NLRP1LMNAMAPTHTT
SCHEMBL608502 0.88 LMNA (0.74) RAD52NLRP1LMNAMAPTHTT
SCHEMBL608488 0.88 RAD52 (0.66) RAD52NLRP1LMNAMAPTHTT
SCHEMBL6815269 0.87 POLB (0.84) RAD52LMNAMAPTHTTALDH1A1
SCHEMBL609714 0.85 RAD52 (0.74) RAD52NLRP1LMNAMAPTHTT

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
WO-2004020422-A1 1, 4- SUBSTITUTED PIPERIDINE DERIVATIVES AND USE THEREOF AS BASE-INHIBITORS IN TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020422-A1 1, 4- SUBSTITUTED PIPERIDINE DERIVATIVES AND USE THEREOF AS BASE-INHIBITORS IN TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed