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SCHEMBL10143793

SCHEMBL10143793

FC(F)(F)Oc1cccc(Nc2cc(Nc3ccccc3)nc(N3CCCCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 14/20 1.00
▸ GALR1 P47211 7/20 1.00
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ IDH2 P48735 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CTSC P53634 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PIM1 P11309 1/20 0.47

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
SCHEMBL10143797 0.91 GALR2 (0.83) GALR2GALR1NPSR1
SCHEMBL10143409 0.89 GALR2 (0.82) GALR2GALR1
SCHEMBL14503147 0.85 GALR2 (0.73) GALR2GALR1CTSLCTSBCTSS
SCHEMBL10144353 0.79 GALR2 (1.00) GALR2GALR1NPSR1MAPT
SCHEMBL10143419 0.79 GALR2 (0.81) GALR2GALR1
SCHEMBL10144345 0.78 GALR2 (0.71) GALR2GALR1IDH2NPSR1MAPT
SCHEMBL10144388 0.78 GALR2 (1.00) GALR2GALR1MAPT
SCHEMBL10143796 0.77 GALR2 (1.00) GALR2GALR1NPSR1MAPT
SCHEMBL10143426 0.77 GALR2 (1.00) GALR2GALR1
SCHEMBL10144350 0.76 GALR2 (0.72) GALR2GALR1NPSR1MAPTPIM1

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed