SCHEMBL5779560

SCHEMBL5779560

CC(=O)CC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
SLC6A9 P48067 2/20 0.50
OPRD1 P41143 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CACNA2D1 P54289 3/20 0.45
CACNA1B Q00975 3/20 0.45
CACNB1 Q02641 3/20 0.45
CACNA1C Q13936 3/20 0.45
MEN1 O00255 1/20 0.44
CACNA1H O95180 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL14769296 0.87 SLC6A9 (0.52) KMT2ASLC6A9OPRD1ALDH1A1CACNA2D1
SCHEMBL12154797 0.84 KMT2A (0.56) KMT2ASLC6A9OPRD1CYP3A4ALDH1A1
SCHEMBL7834836 0.83 SLC6A9 (0.47) KMT2ASLC6A9OPRD1CYP3A4ALDH1A1
SCHEMBL21641193 0.81 CACNA2D1 (0.50) KMT2ASLC6A9OPRD1CACNA2D1CACNA1B
SCHEMBL21640152 0.81 OPRD1 (0.49) KMT2ASLC6A9OPRD1ALDH1A1MEN1
SCHEMBL7383336 0.80 MTNR1A (0.50) KMT2ASLC6A9OPRD1CYP3A4ALDH1A1
SCHEMBL17726230 0.80 KMT2A (0.45) KMT2ASLC6A9OPRD1CACNA2D1CACNA1B
SCHEMBL20594076 0.80 KMT2A (0.57) KMT2ASLC6A9OPRD1CYP3A4ALDH1A1
SCHEMBL16759363 0.79 SLC6A9 (0.46) KMT2ASLC6A9OPRD1ALDH1A1CYP2D6
SCHEMBL85392 0.78 OPRM1 (0.48) KMT2ASLC6A9OPRD1ALDH1A1CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed