SCHEMBL8112751

SCHEMBL8112751

FC(F)(F)c1cccc(OC[C@@H]2CNCCN2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.45
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HCRTR1 O43613 4/20 0.35
▸ HCRTR2 O43614 4/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL30785465 0.81 IKBKB (0.42) SLC6A4IDH1
Hydrochloric Acid SCHEMBL27158432 0.80 IKBKB (0.41) SLC6A4IDH1
Hydrochloric Acid SCHEMBL27158231 0.79 KDM1A (0.48) SLC6A4KCNH2
SCHEMBL30785443 0.78 KCNH2 (0.40) HTR2CSLC6A4HTR2BHCRTR1HCRTR2
SCHEMBL30785441 0.77 HTR2C (0.41) HTR2CSLC6A4HTR2BHCRTR1HCRTR2
SCHEMBL27158587 0.77 HTR2C (0.41) HTR2CSLC6A4HTR2BHCRTR1HCRTR2
SCHEMBL27157901 0.77 HTR2C (0.41) HTR2CSLC6A4HTR2BHCRTR1HCRTR2
SCHEMBL27158591 0.77 HTR2C (0.41) HTR2CSLC6A4HTR2BHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL27157954 0.77 KCNH2 (0.39) HTR2CSLC6A4HTR2BHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL27157860 0.76 HTR2C (0.40) HTR2CSLC6A4HTR2BHCRTR1HCRTR2

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
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