SCHEMBL13638195

SCHEMBL13638195

CCCC(CCC)N1CCC(N)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
SPHK1 Q9NYA1 1/20 0.33
DPP4 P27487 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL23252498 0.89 GNAI3 (0.36) GNAI3GNAO1GNAI1DPP4
SCHEMBL11403240 0.86 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1DPP4
SCHEMBL19779350 0.84 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1DPP4
SCHEMBL20621280 0.84 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1DPP4
SCHEMBL23490184 0.84 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1DPP4
SCHEMBL19779490 0.84 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1DPP4
SCHEMBL1742773 0.82 GNAI3 (0.39) GNAI3GNAO1GNAI1SPHK1HRH3
SCHEMBL8262509 0.80 PHGDH (0.34) HRH3
SCHEMBL21776125 0.80 GNAI3 (0.45) GNAI3GNAO1GNAI1SPHK1DPP4
SCHEMBL7243183 0.79 GNAI3 (0.39) GNAI3GNAO1GNAI1SPHK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753932-A1 SUBSTITUTED BICYCLIC DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-12-23 EP disclosed
US-7612064-B2 Sulfopyrroles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-03 US disclosed