SCHEMBL23918344

SCHEMBL23918344

Cc1cc(C#Cc2ccc(C3CCCCC3)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
PROKR1 Q8TCW9 1/20 0.41
MMP12 P39900 3/20 0.39
GRM5 P41594 5/20 0.39
HAO1 Q9UJM8 1/20 0.39
ADK P55263 1/20 0.36
PTAFR P25105 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL23918346 0.82 FFAR1 (0.46) FFAR1GRM5ADKPTAFREGLN1
SCHEMBL23918348 0.79 S1PR1 (0.48) FFAR1HAO1KDM4ELMNAHTT
SCHEMBL22402327 0.77 IDO1 (0.44) PROKR1KDM4EALDH1A1HTT
SCHEMBL23370336 0.76 FFAR1 (0.56) FFAR1MMP12GRM5HAO1GABRP
SCHEMBL12093743 0.76 IDO1 (0.45) PROKR1KDM4EALDH1A1
SCHEMBL15014364 0.73 ESR2 (0.53) FFAR1GRM5HAO1ADKEGLN1
SCHEMBL21578920 0.73 FFAR1 (0.57) FFAR1MMP12GRM5HAO1GABRP
SCHEMBL10476961 0.72 APP (0.48) FFAR1MMP12GRM5HAO1KDM4E
SCHEMBL16139763 0.72 GRM5 (0.57) FFAR1GRM5HAO1GABRPGABRD
SCHEMBL12093732 0.72 IDO1 (0.45) PROKR1

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-20210318231-A1 Liquid Crystal-Based Detection of Air Contaminants Using Metal Surfaces NATIONAL SCIENCE FOUNDATION 2021-10-14 US disclosed