SCHEMBL11068290

SCHEMBL11068290

C=CCN1C(=O)CCc2c(OCC(O)CCl)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.40
ADRB2 P07550 6/20 0.39
ADRB1 P08588 6/20 0.39
ADRB3 P13945 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
HTR1A P08908 3/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
SLC6A4 P31645 2/20 0.34
LMNA P02545 2/20 0.34
SLC22A1 O15245 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL11724290 0.90 ABCB1 (0.41) ABCB1ADRB2ADRB1ADRB3LOXL2
SCHEMBL10572085 0.81 MAPT (0.59) ABCB1ADRB2ADRB1ADRB3LMNA
SCHEMBL11064919 0.79 ADRB2 (0.51) ABCB1ADRB2ADRB1ADRB3
SCHEMBL11066890 0.78 ABCB1 (0.57) ABCB1ADRB2ADRB1ADRB3LMNA
Oxalic Acid SCHEMBL11068715 0.77 KCNH2 (0.50) ABCB1ADRB2ADRB1ADRB3
Iodide SCHEMBL11071830 0.77 SLC18A3 (0.44) ABCB1ADRB2ADRB1ADRB3LOXL2
Oxalic Acid SCHEMBL11064628 0.76 ABCB1 (0.57) ABCB1ADRB2ADRB1ADRB3LMNA
SCHEMBL11062978 0.76 ADRB2 (0.46) ABCB1ADRB2ADRB1ADRB3MAPT
SCHEMBL11726085 0.76 CYP1A2 (0.45) ABCB1ADRB2ADRB1ADRB3LOXL2
SCHEMBL11062792 0.76 ALDH1A1 (0.40) LOXL2SIGMAR1ALDH1A1TSHRKDM4E

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