SCHEMBL11273687

SCHEMBL11273687

CCCCC1(c2ccc(Cl)cc2)CO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.40
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
CHRNA1 P02708 2/20 0.36
CHRNG P07510 2/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRND Q07001 2/20 0.36
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 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
SCHEMBL121021 0.82 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL11140706 0.81 OPRM1 (0.46) SMN1; SMN2KDM4E
SCHEMBL10876682 0.81 SLC6A4 (0.40) UTS2RSLC6A4SLC6A3SLC6A2CHRNA1
SCHEMBL9667383 0.79 SLC6A4 (0.38) UTS2RSLC6A4SLC6A3SLC6A2CHRNA1
SCHEMBL867470 0.77 UTS2R (0.36) UTS2RSLC6A4SLC6A3SLC6A2CHRNA1
SCHEMBL28318484 0.77 CYP3A4 (0.39) SLC6A4SLC6A3SLC6A2LMNASMN1; SMN2
SCHEMBL27997493 0.75 MMP2 (0.47)
SCHEMBL2307573 0.75 MMP2 (0.47)
SCHEMBL10638461 0.75 UTS2R (0.38) UTS2RSLC6A4SLC6A3SLC6A2CHRNA1
SCHEMBL8807095 0.74 UTS2R (0.38) UTS2RSLC6A4SLC6A3SLC6A2CHRNA1

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-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP disclosed