SCHEMBL11048827

SCHEMBL11048827

CCCC1CCC(C2(c3ccc(-c4ccc(C#N)cc4)cc3)CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRD1 P41143 1/20 0.35
HRH3 Q9Y5N1 8/20 0.34
KIF11 P52732 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
KDM1A O60341 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CTSC P53634 1/20 0.33
KCNH2 Q12809 1/20 0.33
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10612749 0.96 OPRD1 (0.36) OPRD1HRH3KDM1ACYP3A4MAPT
SCHEMBL9775622 0.80 FFAR1 (0.40) TSHR
SCHEMBL8435345 0.79 OPRM1 (0.41) KCNH2
SCHEMBL9177824 0.79 SLC6A3 (0.42) CYP3A4KCNH2
SCHEMBL9177828 0.79 SLC6A3 (0.42) CYP3A4KCNH2
SCHEMBL8939450 0.79 TSHR (0.43) TSHRHSD17B10HRH3KDM1ACTSC
SCHEMBL9614557 0.79 PARP15 (0.40)
SCHEMBL10736893 0.79 PRF1 (0.31) OPRD1HRH3KDM1A
SCHEMBL9758873 0.77 TSHR (0.38) TSHRHSD17B10HRH3KIF11HRH2
SCHEMBL10742505 0.76 HSD11B1 (0.32) KDM1A

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-4439340-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1984-03-27 US disclosed