SCHEMBL11530675

SCHEMBL11530675

CC1(CCCN(Cc2ccccc2)Cc2ccccc2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
MAOB P27338 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL14130984 0.74 GAA (0.41) MAOBKDM4EATMNPSR1TDP1
SCHEMBL23833143 0.74 NPSR1 (0.36) MAOBKDM4EATMNPSR1TDP1
SCHEMBL4974601 0.73 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11795941 0.73 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL22482041 0.72 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL23833112 0.72 NPSR1 (0.47) NPSR1TSHRALDH1A1
SCHEMBL11673147 0.71 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL172516 0.70 MAPT (0.60) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8704294 0.70 MAOA (0.43) MAOBOPRM1TSHR
SCHEMBL27220833 0.70 CNR2 (0.40) HDAC3HDAC1HDAC2HDAC8NCOR2

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
US-4156730-A CARBOXYALKYL-SUBSTITUTED PYRROLIDIN-3,5-DIONES BEECHAM GROUP LIMITED (GB) 1979-05-29 US disclosed