SCHEMBL11065355

SCHEMBL11065355

CN1C(=O)CC(c2ccccc2)c2ccc(OCC(O)CN3CCC(Cc4ccccc4)CC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
DRD4 P21917 6/20 0.58
ABCB1 P08183 4/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
DRD2 P14416 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL11069003 0.83 DRD4 (0.62) GAADRD4ABCB1POLBTSHR
SCHEMBL11073897 0.77 ABCB1 (0.62) GAADRD4ABCB1KMT2AMEN1
SCHEMBL11066226 0.76 DRD4 (0.62) GAADRD4POLBTSHRKMT2A
SCHEMBL11073834 0.75 SLC6A2 (0.56)
SCHEMBL12577241 0.75 DRD4 (0.84) GAADRD4ABCB1POLBTSHR
Oxalic Acid SCHEMBL11060455 0.75 ABCB1 (0.61) GAADRD4ABCB1KMT2AMEN1
SCHEMBL11071842 0.74 SLC18A3 (0.48) GAADRD4KMT2AMEN1DRD2
SCHEMBL7999064 0.74 DRD4 (0.86) GAADRD4ABCB1POLBTSHR
SCHEMBL11062784 0.73 ABCB1 (0.60) GAADRD4ABCB1KMT2AMEN1
SCHEMBL11065731 0.73 DRD4 (0.58) GAADRD4ABCB1POLBTSHR

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