SCHEMBL6426528

SCHEMBL6426528

CN(C)CCc1cc(CO)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.41
TTR P02766 1/20 0.40
POLB P06746 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
CDC25C P30307 1/20 0.36
SNCA P37840 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL28623192 0.83 TSHR (0.49) ALDH1A1MAPTKDM4ETTRPOLB
SCHEMBL30208637 0.83 TSHR (0.49) ALDH1A1MAPTKDM4ETTRPOLB
SCHEMBL25784409 0.80 TSHR (0.53) ALDH1A1MAPTKDM4ESIGMAR1SMN1; SMN2
SCHEMBL23861124 0.79 TSHR (0.50) ALDH1A1MAPTKDM4EPOLBSIGMAR1
SCHEMBL30060723 0.79 TSHR (0.50) ALDH1A1MAPTKDM4EPOLBSIGMAR1
Dimethylamine SCHEMBL7133569 0.77 MAPT (0.46) ALDH1A1MAPTTTRSMN1; SMN2GAA
SCHEMBL6382390 0.77 ALDH3A1 (0.51) ALDH1A1MAPTTTRSIGMAR1SMN1; SMN2
SCHEMBL7262800 0.76 ALDH1A1 (0.60) ALDH1A1SIGMAR1SMN1; SMN2TSHR
SCHEMBL19639766 0.75 VCAM1 (0.48) ALDH1A1MAPTSIGMAR1SMN1; SMN2NPSR1
SCHEMBL23861121 0.75 MEN1 (0.44) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2

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-1131301-B1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-08-24 EP disclosed
US-6509365-B1 2-phenylbenzimidazoles and 2-phenylindoles, and production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed