SCHEMBL10586709

SCHEMBL10586709

CCCC(C)C1(c2ccc(-c3ccc(C#N)cc3)cc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.43
SLC6A4 P31645 11/20 0.43
SLC6A2 P23975 1/20 0.43
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 2/20 0.38
CTSC P53634 1/20 0.38
GRIA2 P42262 1/20 0.34
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP19A1 P11511 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL6891431 0.96 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2CYP19A1HRH3
SCHEMBL7602161 0.83 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2KCNH2CTSC
SCHEMBL11524015 0.83 SLC6A4 (0.63) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL10768525 0.77 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2CYP19A1
SCHEMBL11526231 0.77 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2CYP19A1
SCHEMBL10590633 0.77 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL11524866 0.77 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2HSD17B10CYP19A1
SCHEMBL10591071 0.77 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2CYP19A1
SCHEMBL10708461 0.76 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2TSHRALDH1A1
SCHEMBL9485781 0.76 SLC6A4 (0.42) SLC6A3SLC6A4SLC6A2TSHRHSD17B10

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
EP-0318003-A2 A liquid crystal composition for twist nematic mode CHISSO CORPORATION (JP) 1989-05-31 EP disclosed