SCHEMBL6977305

SCHEMBL6977305

CCOC(=O)C1CCN(C(=O)c2[nH]c(Cc3ccc(Cl)cc3)nc2CN2CCC(c3ccccc3)(c3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PARP1 P09874 1/20 0.42
MDM2 Q00987 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6970267 0.82 POLB (0.46) KMT2AMEN1CYP2C19POLBKDM4E
SCHEMBL7464135 0.75 ADRA1A (0.44) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL6976119 0.74 ALDH1A1 (0.50) KMT2AMEN1RAB9AATMPOLB
SCHEMBL6093231 0.70 KDM4E (0.77) KMT2APOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL12804001 0.68 TSPO (0.54) KMT2AMEN1RAB9AATMCYP2C19
SCHEMBL6975022 0.68 MMP2 (0.51)
SCHEMBL14158200 0.67 MEN1 (0.53) KMT2AMEN1RAB9AATMCYP2C19
SCHEMBL314589 0.67 TSHR (0.75) KMT2AMEN1RAB9AATMKDM4E
SCHEMBL608528 0.67 ALDH1A1 (0.76) KMT2APOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL12804494 0.67 NOD2 (0.54) KMT2AMEN1RAB9AATMPOLB

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
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed