SCHEMBL3661955

SCHEMBL3661955

Cc1ccc([C@@](C)(N)I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ACHE P22303 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA5A P35218 2/20 0.40
KIF11 P52732 5/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 1/20 0.34
CA7 P43166 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE2A O00408 1/20 0.33
MLYCD O95822 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL19981810 1.00 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL3980605 1.00 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL14923048 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL15745695 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL10843149 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL15150838 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL15450593 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL2892242 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL1409623 0.78 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL6049865 0.77 TSHR (0.58) TSHRACHETDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139884-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE Dongwoo Syntech Co., Ltd. (KR) 2010-01-06 EP claimed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO claimed
WO-2008117955-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO., LTD. (KR) 2008-10-02 WO claimed
EP-2139884-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE Dongwoo Syntech Co., Ltd. (KR) 2010-01-06 EP disclosed
EP-2069320-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES Teva Pharmaceutical Industries Ltd. (IL) 2009-06-17 EP disclosed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO disclosed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO disclosed
WO-2008117955-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO., LTD. (KR) 2008-10-02 WO disclosed