SCHEMBL4675018

SCHEMBL4675018

O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[N]CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
FAAH O00519 4/20 0.58
TRPV1 Q8NER1 1/20 0.55
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 1/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3723811 0.90 CYP2C9 (0.65) POLBFAAHCYP2C9CYP2C19GAA
SCHEMBL4676015 0.84 FAAH (0.61) FAAHMAPT
SCHEMBL7320026 0.81 POLB (0.79) POLBFAAHTRPV1CYP2C9CYP2C19
SCHEMBL9466671 0.81 MAPT (0.65) POLBFAAHCYP2C9CYP2C19GAA
SCHEMBL4675168 0.81 LMNA (0.61) FAAHTRPV1GAASMN1; SMN2MAPT
SCHEMBL5431902 0.81 NPC1 (0.71) POLBFAAHGAASMN1; SMN2MAPT
SCHEMBL25106567 0.80 POLB (0.57) POLBFAAHTRPV1CYP2C9CYP2C19
SCHEMBL25914018 0.79 POLB (0.56) POLBFAAHTRPV1CYP2C9CYP2C19
SCHEMBL4671482 0.78 FAAH (0.67) FAAHSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL2897923 0.77 KDM4E (0.77) POLBFAAHCYP2C9CYP2C19GAA

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed