SCHEMBL11069595

SCHEMBL11069595

c1coc(CNCCCCCCCCCCNCc2ccco2)c1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.96
EPHX2 P34913 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
MAOA P21397 1/20 0.47
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL30141751 1.00 CHRM2 (0.96) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL11073153 1.00 CHRM2 (0.96) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL30141723 0.98 CHRM2 (0.92) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL13278276 0.94 CHRM2 (0.85) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL16295729 0.91 CHRM2 (0.80) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL30924842 0.91 CHRM2 (0.80) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL10754417 0.91 CHRM2 (0.80) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL11076365 0.91 CHRM2 (0.80) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL30924843 0.91 CHRM2 (0.80) CHRM2EPHX2TDP1CYP1A2CYP2D6
SCHEMBL29143566 0.91 CHRM2 (0.80) CHRM2EPHX2TDP1CYP1A2CYP2D6

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
US-RE31670-E ADHESIVES; COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-09-11 US disclosed
EP-0039156-B1 ONE-PART SOLVENT-FREE THERMOSETTABLE PREPOLYMER COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-08-29 EP disclosed
EP-0039156-A1 One-part solvent-free thermosettable prepolymer composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-04 EP disclosed
US-4273909-A One-part solvent-free thermosettable blocked prepolymer composition containing a diene, together with chain extender, chain terminator and a dienophile MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-16 US disclosed