SCHEMBL6160313

SCHEMBL6160313

c1ccc(CCCCNCCCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.68
CHRM2 P08172 1/20 0.63
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH1 P35367 1/20 0.56
PTAFR P25105 1/20 0.56

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
SCHEMBL6161198 1.00 SIGMAR1 (0.68) SIGMAR1CHRM2TDP1L3MBTL1HRH1
SCHEMBL6159259 0.98 SIGMAR1 (0.67) SIGMAR1CHRM2TDP1L3MBTL1HRH1
SCHEMBL6158945 0.97 SIGMAR1 (0.68) SIGMAR1CHRM2TDP1L3MBTL1HRH1
SCHEMBL6159311 0.95 SIGMAR1 (0.71) SIGMAR1CHRM2TDP1L3MBTL1
SCHEMBL6157737 0.93 SIGMAR1 (0.70) SIGMAR1CHRM2TDP1L3MBTL1
SCHEMBL16606319 0.91 CHRM2 (0.68) SIGMAR1CHRM2TDP1L3MBTL1HRH1
SCHEMBL6157520 0.89 CHRM2 (0.71) SIGMAR1CHRM2TDP1L3MBTL1HRH1
SCHEMBL8199794 0.88 TDP1 (0.71) TDP1L3MBTL1HRH1PTAFR
SCHEMBL4068320 0.87 CHRM2 (0.68) SIGMAR1CHRM2TDP1L3MBTL1
SCHEMBL4072845 0.87 CHRM2 (0.73) SIGMAR1CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129070-A4 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-03-02 EP disclosed
EP-1129070-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-05 EP disclosed
US-6228872-B1 PEPTIDE-PROLYL ISOMERASE AND ROTAMASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2001-05-08 US disclosed
WO-2000027811-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-18 WO disclosed