SCHEMBL6815606

SCHEMBL6815606

OC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.88
KMT2A Q03164 3/20 0.88
RAD52 P43351 2/20 0.88
BAX Q07812 1/20 0.72
MAPT P10636 4/20 0.70
MAPK1 P28482 2/20 0.70
TP53 P04637 1/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX15 P16050 1/20 0.70
POLB P06746 2/20 0.66
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
ATM Q13315 1/20 0.63
BACE1 P56817 1/20 0.59
DNM1 Q05193 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 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
SCHEMBL1305296 0.94 MEN1 (0.78) MEN1KMT2ARAD52BAXMAPT
SCHEMBL6819686 0.93 BAX (0.82) MEN1KMT2ARAD52BAXMAPT
SCHEMBL411279 0.92 KMT2A (0.78) MEN1KMT2ARAD52BAXMAPT
SCHEMBL607333 0.91 BAX (0.88) MEN1KMT2ARAD52BAXMAPT
SCHEMBL608294 0.91 BAX (0.88) MEN1KMT2ARAD52BAXMAPT
SCHEMBL607334 0.91 BAX (0.88) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5024544 0.91 MEN1 (0.73) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5024534 0.91 MEN1 (0.73) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5026850 0.91 MEN1 (0.73) MEN1KMT2ARAD52BAXMAPT
SCHEMBL610230 0.91 MEN1 (0.73) MEN1KMT2ARAD52BAXMAPT

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