SCHEMBL23918702

SCHEMBL23918702

Fc1cc(C#Cc2ccccc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
APP P05067 1/20 0.48
ASIC3 Q9UHC3 1/20 0.46
GRM5 P41594 9/20 0.45
GRM4 Q14833 1/20 0.44

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
SCHEMBL31472661 0.78 FFAR1 (0.42) FFAR1ASIC3GRM5GRM4
SCHEMBL21332512 0.78 FFAR1 (0.42) FFAR1ASIC3GRM5GRM4
SCHEMBL16139763 0.76 GRM5 (0.57) FFAR1APPASIC3GRM5GRM4
SCHEMBL3498257 0.76 ASIC3 (0.54) APPASIC3GRM5GRM4
SCHEMBL3500649 0.76 FFAR1 (0.56) FFAR1APPASIC3GRM5GRM4
SCHEMBL25200094 0.74 FFAR1 (0.44) FFAR1GRM5
SCHEMBL2107128 0.73 GRM5 (0.46) FFAR1APPASIC3GRM5GRM4
SCHEMBL3841170 0.72
SCHEMBL30823015 0.72
SCHEMBL30372755 0.72

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