SCHEMBL11071272

SCHEMBL11071272

CC(COc1cccc2c1CCC(=O)N2C)CN1CCC(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.45
DRD2 P14416 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD3 P35462 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
KCNH2 Q12809 2/20 0.42
SLC18A3 Q16572 3/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL11067472 0.90 KCNH2 (0.54) DRD4KCNH2SLC18A3
SCHEMBL11067861 0.87 DRD4 (0.62) DRD4DRD2CHRM2CHRM4CHRM5
SCHEMBL11066898 0.84 DRD2 (0.53) DRD4DRD2CHRM2CHRM4CHRM5
SCHEMBL11066967 0.81 SCN1A (0.55) DRD4TSHRL3MBTL1KCNH2SLC18A3
SCHEMBL11067922 0.78 KCNH2 (0.49) KCNH2SLC18A3
SCHEMBL11073897 0.77 ABCB1 (0.62) DRD4DRD2
SCHEMBL11061136 0.76 KCNH2 (0.56) DRD4DRD2KCNH2
SCHEMBL11067546 0.75 KCNH2 (0.52) DRD4DRD2CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL11060455 0.75 ABCB1 (0.61) DRD4DRD2
SCHEMBL11064919 0.75 ADRB2 (0.51) DRD4KCNH2SLC18A3

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed