SCHEMBL730166

SCHEMBL730166

C=CC(=O)NC(C)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
SIGMAR1 Q99720 2/20 0.35
CYP1A2 P05177 1/20 0.34
OPRD1 P41143 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TEAD1 P28347 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20081800 0.81 TSHR (0.48) TSHRCYP1A2MEN1KMT2ATEAD1
SCHEMBL1070614 0.79 TSHR (0.47) TSHRMEN1KMT2A
SCHEMBL6632269 0.78 CHRM5 (0.44) CHRM5CHRM3SIGMAR1CYP1A2OPRD1
SCHEMBL11108303 0.77 CHRM5 (0.43) CHRM5CHRM3SIGMAR1CYP1A2OPRD1
SCHEMBL733022 0.76 CHRM5 (0.40) CHRM5CHRM3SIGMAR1CYP1A2OPRD1
SCHEMBL3107212 0.76 TSHR (0.43) TSHRCHRM5CHRM3F13A1TGM2
SCHEMBL973335 0.70 TSHR (0.48) TSHRTGM2TEAD1CYP2C19
SCHEMBL9331350 0.70 CHRM5 (0.38) CHRM5CHRM3SIGMAR1CYP1A2OPRD1
SCHEMBL3127868 0.70 CA1 (0.41) CHRM5CHRM3SIGMAR1KMT2A
SCHEMBL11310538 0.69 CHRM5 (0.37) TSHRCHRM5CHRM3SIGMAR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063210-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS SOLVAY SA (BE) 2016-09-07 EP disclosed
US-9388282-B2 Method of thiophenol removal from poly(arylene sulfide) polymer compositions SOLVAY SPECIALTY POLYMERS USA, LLC. (US) 2016-07-12 US disclosed
WO-2015065906-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-05-07 WO disclosed
US-20150119550-A1 Method of Thiophenol Removal from Poly(Arylene Sulfide) Polymer Compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-04-30 US disclosed
US-8889802-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2014-11-18 US disclosed
US-20120130040-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2012-05-24 US disclosed
EP-2448990-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME Polymeright Inc. (US) 2012-05-09 EP disclosed
US-8138278-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2012-03-20 US disclosed
US-20110152492-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2011-06-23 US disclosed
WO-2011008480-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME POLYMERIGHT, INC. (US) 2011-01-20 WO disclosed
US-7585932-B2 Polymer compositions and processes for making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-09-08 US disclosed
EP-1940917-A2 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME Chevron Phillips Chemical Company LP (US) 2008-07-09 EP disclosed
US-20070055033-A1 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2007-03-08 US disclosed
WO-2007021960-A2 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-02-22 WO disclosed