SCHEMBL6662851

SCHEMBL6662851

Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4ncccc4O)CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 13/20 0.60
GALR1 P47211 8/20 0.60
MAPT P10636 3/20 0.48
APAF1 O14727 2/20 0.48
GAA P10253 2/20 0.48
PPP1CA P62136 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NSD2 O96028 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GBA1 P04062 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL3240980 0.90 GALR2 (0.62) GALR2GALR1MAPTAPAF1GAA
SCHEMBL3240588 0.88 GALR2 (0.59) GALR2GALR1MAPTAPAF1GAA
SCHEMBL3233075 0.86 GALR2 (0.81) GALR2GALR1
SCHEMBL3243408 0.86 GALR2 (0.81) GALR2GALR1
SCHEMBL3241392 0.85 GALR2 (0.59) GALR2GALR1MAPTAPAF1GAA
SCHEMBL7165715 0.84 GALR2 (0.58) GALR2GALR1MAPTAPAF1GAA
SCHEMBL3245932 0.84 GALR2 (0.61) GALR2GALR1MAPTAPAF1GAA
SCHEMBL3240927 0.80 GALR2 (0.77) GALR2GALR1MAPTAPAF1GAA
SCHEMBL3241078 0.79 GALR2 (0.57) GALR2GALR1MAPTAPAF1GAA
SCHEMBL3246321 0.78 CASP1 (0.59) GALR2GALR1MAPTAPAF1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
EP-1363638-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS Synaptic Pharmaceutical Corporation (US) 2003-11-26 EP disclosed
WO-2002060392-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-08-08 WO disclosed