SCHEMBL21135745

SCHEMBL21135745

CCC(C)(N)n1cc(C(C)(C)C)nn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SMPD1 P17405 4/20 0.33

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
SCHEMBL18077443 0.82 GABRA2 (0.35) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL22030529 0.82 GABRA2 (0.37) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL10089709 0.77 GABRA2 (0.42) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL23979222 0.76 GABRA2 (0.36) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL18972971 0.76 DPP4 (0.33) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL19704560 0.74 DPP4 (0.32) DPP4GABRA2GABRB2
SCHEMBL18812323 0.74 GABRA2 (0.37) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL27019753 0.74 GABRA2 (0.37) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL25983001 0.74 GABRA2 (0.37) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL20462203 0.72 HRH4 (0.31) HRH4HRH3

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-2768886-B1 RUBBER COMPOSITION CONTAINING A DIENE COPOLYMER INCLUDING AT LEAST TWO BLOCKS AND TYRE COMPRISING THE SAME MICHELIN & CIE (FR) 2019-06-12 EP disclosed