SCHEMBL7705659

SCHEMBL7705659

CC1CCNC(C)(N2CCC[C@H]2C(=O)O)C1.N=C(N)c1ccc(C(N)=O)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.33
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DGAT1 O75907 3/20 0.31
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LRRK2 Q5S007 1/20 0.30
GRM5 P41594 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
SCHEMBL6477272 0.77 F2 (0.30) F2
SCHEMBL6484948 0.74 DPP4 (0.40) L3MBTL1DGAT1ALDH1A1
SCHEMBL8723763 0.70 PRSS1 (0.42) F2L3MBTL1DGAT1PRSS1TMPRSS15
SCHEMBL7702747 0.68 DGAT1 (0.39) F2DGAT1PRSS1TMPRSS15OPRM1
Proline SCHEMBL8727242 0.68 NOS2 (0.39) F2ITGB3ITGA2BGRM5
Acetic Acid SCHEMBL6476505 0.66 NNMT (0.50) L3MBTL1GRM5
SCHEMBL6476554 0.66 NNMT (0.57) L3MBTL1GRM5
SCHEMBL6484032 0.66 PRSS1 (0.38) F2DGAT1PRSS1TMPRSS15ALDH1A1
SCHEMBL8725887 0.66 F2 (0.40) F2PRSS1OPRM1
SCHEMBL8722619 0.66 F2 (0.40) F2DGAT1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed