SCHEMBL13536746

SCHEMBL13536746

CCCCCCCN1CCN(c2nc(Nc3cccc(OC)c3)cc(N(C)C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.52
GALR1 P47211 2/20 0.52
KCNH2 Q12809 2/20 0.47
SRC P12931 1/20 0.46
HTR2C P28335 5/20 0.44
HTR2A P28223 2/20 0.44
DRD2 P14416 1/20 0.43
ABCB1 P08183 2/20 0.42
AURKA O14965 1/20 0.42
GBA1 P04062 1/20 0.42
HTR1A P08908 3/20 0.41
PIK3CA P42336 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
SCHEMBL6791198 0.84 CASP1 (0.57) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL6797121 0.83 GALR2 (0.54) GALR2GALR1HTR2CHTR2ADRD2
SCHEMBL3247878 0.82 GALR2 (0.52) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL6790892 0.82 GALR2 (0.52) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL8263323 0.82 GALR2 (0.59) GALR2GALR1HTR2CHTR2AABCB1
SCHEMBL6788539 0.81 GALR2 (0.54) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL3240623 0.81 GALR2 (0.52) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL3242747 0.81 GALR2 (0.60) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL6895881 0.81 GALR2 (0.49) GALR2GALR1SRCHTR2CHTR2A
SCHEMBL3244424 0.80 GALR2 (0.51) GALR2GALR1SRCHTR2CHTR2A

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-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed