SCHEMBL20353195

SCHEMBL20353195

Cc1cc(C)c(NC2CCC(C)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 15/20 0.48
▸ EPHX2 P34913 1/20 0.40
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ TAS1R2 Q8TE23 3/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL25039416 0.82 RAPGEF4 (0.46) RAPGEF4
SCHEMBL20353196 0.82 TAS1R3 (0.51) RAPGEF4EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL2094375 0.78 RAPGEF4 (0.46) RAPGEF4TAS1R3TAS1R1TAS1R2
SCHEMBL1842397 0.78 RAPGEF4 (0.46) RAPGEF4
SCHEMBL25039457 0.78 RAPGEF4 (0.42) RAPGEF4
SCHEMBL29218718 0.72 TAS1R3 (0.37) RAPGEF4TAS1R3TAS1R1TAS1R2
SCHEMBL31619851 0.72 RAPGEF4 (0.48) RAPGEF4TAS1R3TAS1R1TAS1R2
SCHEMBL3973338 0.72 BRD4 (0.44) RAPGEF4
SCHEMBL1848100 0.71 CYP3A4 (0.43) EPHX2NPC1RAB9A
SCHEMBL31206247 0.70 KDM1A (0.46) EPHX2TAS1R3TAS1R1TAS1R2

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-2018125569-A1 LUBRICATING COMPOSITION INCLUDING N-ALKYLATED DIANILINE THE LUBRIZOL CORPORATION (US) 2018-07-05 — — WO disclosed
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