SCHEMBL18104338

SCHEMBL18104338

CC1CCCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)C1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.74
▸ CYP1A2 P05177 4/20 0.74
▸ CYP2C9 P11712 4/20 0.74
▸ CYP2C19 P33261 4/20 0.74
▸ NPSR1 Q6W5P4 3/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ SIRT6 Q8N6T7 1/20 0.67
▸ HTR6 P50406 8/20 0.64
▸ HTT P42858 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL1842067 0.86 MAPT (0.72) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12684789 0.85 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12684788 0.83 MAPT (0.70) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2390380 0.82 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1846387 0.82 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2481061 0.81 MAPT (0.86) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1847175 0.81 SIRT6 (1.00) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1845533 0.79 MAPT (0.74) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1844704 0.78 HTR6 (1.00) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2389029 0.78 MAPT (0.80) MAPTCYP1A2CYP2C9CYP2C19NPSR1

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
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 — — US disclosed
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