SCHEMBL6159739

SCHEMBL6159739

COc1cccc(CCCNCCCc2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.56
PTAFR P25105 4/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
PTGDR Q13258 1/20 0.52
ACP1 P24666 1/20 0.52
ABCB1 P08183 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL28177088 0.87 HTR1A (0.67) CHRM2PTAFRHTR1ADRD2CHRM1
SCHEMBL6165459 0.86 KMT2A (0.54) CHRM2PTAFRPTGDRACP1MEN1
SCHEMBL16606319 0.82 CHRM2 (0.68) CHRM2TDP1
SCHEMBL5099393 0.81 TAAR1 (0.68) CHRM2MTNR1AMTNR1BCHRM1CHRM3
SCHEMBL6160639 0.81 PTAFR (0.59) CHRM2PTAFR
SCHEMBL7985841 0.80 SIGMAR1 (0.64) CHRM2DRD2MTNR1AMTNR1BCHRM1
SCHEMBL5678830 0.80 CHRM2 (0.66) CHRM2MTNR1AMTNR1BCHRM1CHRM3
SCHEMBL6158967 0.80 PTAFR (0.52) CHRM2PTAFRKMT2ATDP1
SCHEMBL10470624 0.80 PTAFR (0.64) PTAFRMEN1KMT2ATDP1
SCHEMBL6158945 0.78 SIGMAR1 (0.68) CHRM2TDP1

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 3 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
WO-2000027811-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-18 WO disclosed