SCHEMBL10143643

SCHEMBL10143643

COc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1F

nearest known ligand 0.98

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 10/20 0.98
GALR2 O43603 9/20 0.98
TRPV1 Q8NER1 9/20 0.55

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
SCHEMBL10144212 0.99 GALR1 (1.00) GALR1GALR2TRPV1
SCHEMBL10144202 0.87 GALR2 (1.00) GALR1GALR2TRPV1
SCHEMBL3243408 0.85 GALR2 (0.81) GALR1GALR2TRPV1
SCHEMBL3233075 0.85 GALR2 (0.81) GALR1GALR2TRPV1
SCHEMBL10143748 0.85 GALR2 (0.78) GALR1GALR2
SCHEMBL5446545 0.84 GALR2 (0.79) GALR1GALR2TRPV1
SCHEMBL10144200 0.80 GALR2 (1.00) GALR1GALR2TRPV1
SCHEMBL10143644 0.78 GALR2 (0.98) GALR1GALR2TRPV1
SCHEMBL5454502 0.78 GALR2 (0.66) GALR1GALR2TRPV1
SCHEMBL10144203 0.77 GALR2 (1.00) GALR1GALR2TRPV1

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