SCHEMBL8007700

SCHEMBL8007700

CC1=C(Cc2cccc(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDH1 O75874 1/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DAO P14920 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR6 P50406 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL3300303 0.79 TAAR1 (0.60) TAAR1IDH1IDO1AGXTALDH1A1
SCHEMBL20257528 0.76 TAAR1 (0.49) TAAR1IDH1IDO1AGXTACHE
SCHEMBL2352229 0.74 CALM1 (0.52) TAAR1ALDH1A1
SCHEMBL16191188 0.74 TAAR1 (0.52) TAAR1IDH1IDO1AGXTACHE
SCHEMBL16191018 0.73 TAAR1 (0.50) TAAR1IDH1IDO1AGXTACHE
SCHEMBL3298408 0.73 CALM1 (0.57) TAAR1IDH1IDO1AGXTALDH1A1
SCHEMBL18674018 0.72 IDH1 (0.51) TAAR1IDH1IDO1AGXTACHE
SCHEMBL19619123 0.72 TAAR1 (0.49) TAAR1IDH1IDO1AGXTACHE
SCHEMBL19367314 0.72 TAAR1 (0.49) TAAR1IDH1IDO1AGXTACHE
SCHEMBL7929350 0.71 TAAR1 (0.52) TAAR1IDO1AGXTALDH1A1SMN1; SMN2

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
WO-2009099582-A2 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed