SCHEMBL3300725

SCHEMBL3300725

CC(CC#Cc1[c]cccc1)c1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
GRM5 P41594 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
SCHEMBL483300 0.73 KDM4E (0.34)
SCHEMBL2649459 0.71 ALDH1A1 (0.36)
SCHEMBL25333 0.71 TSHR (0.42)
SCHEMBL613219 0.70 KCNH2 (0.39)
SCHEMBL2448820 0.70 LARS1 (0.33)
SCHEMBL1569600 0.70 TRPA1 (0.38)
SCHEMBL23982 0.70 TAAR1 (0.30)
SCHEMBL2698493 0.70 TAAR1 (0.30)
SCHEMBL2650824 0.69 CYP2A6 (0.41) GRM5
SCHEMBL6295153 0.68 FFAR1 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293803-B2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2012-10-23 US disclosed
US-20100093088-A1 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2010-04-15 US disclosed