SCHEMBL1729647

SCHEMBL1729647

CCCCCCNC(=O)Nc1ccc([N+]2([C@@H]3CCNC3)CCC[C@@H]2C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.38
EPHX1 P07099 12/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL3655137 0.80 RAB9A (0.43) EPHX2ALDH1A1MAPTTSHR
SCHEMBL3658726 0.76 CYP1A2 (0.44) ALDH1A1MAPT
SCHEMBL3654285 0.75 MAPT (0.38) MAPT
SCHEMBL3648133 0.74 LMNA (0.41) ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3655804 0.73 CYP1A2 (0.36)
Trifluoroacetic Acid SCHEMBL3651075 0.73 CYP1A2 (0.40) ALDH1A1HTTMAPT
SCHEMBL3656686 0.72 EPHX2 (0.38) EPHX2MAPT
SCHEMBL2472659 0.71
SCHEMBL3657543 0.71 NPC1 (0.40) ALDH1A1HTTMAPT
SCHEMBL3703939 0.71 RAB9A (0.42) ALDH1A1MAPT

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-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP claimed