SCHEMBL18533320

SCHEMBL18533320

C=C1CCCc2ccc(I)cc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.37
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TYMS P04818 2/20 0.35
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL13513216 0.84 MAOA (0.38) TDP2ADRA2APNMTADRA2BADRA2C
SCHEMBL11997405 0.76 MAPT (0.37) TYMSMAOAMAOBCYP2A6
SCHEMBL30643139 0.76 METAP1 (0.46) TDP2PNMTTYMS
SCHEMBL6209711 0.76 METAP1 (0.46) TDP2PNMTTYMS
SCHEMBL12676043 0.76 PBRM1 (0.50) TYMSMAOAMAOB
SCHEMBL3665755 0.76 MAOA (0.53) TDP2TYMSMAOAMAOBCYP2A6
SCHEMBL4525476 0.73 PNMT (0.54) TDP2ADRA2APNMTADRA2BADRA2C
SCHEMBL29618375 0.73 PNMT (0.54) TDP2ADRA2APNMTADRA2BADRA2C
SCHEMBL16527230 0.73 MAOA (0.31) MAOAMAOB
SCHEMBL12500758 0.72 MAOA (0.48) TDP2TYMSMAOAMAOBCYP2A6

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-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed