SCHEMBL4676904

SCHEMBL4676904

O=C(O)[C@H]1CCCCN1S(=O)(=O)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.46
AVPR1A P37288 1/20 0.44
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A4 P31645 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ADRA1D P25100 2/20 0.39
APP P05067 1/20 0.38
IDO1 P14902 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38
CREBBP Q92793 1/20 0.38
CTSS P25774 1/20 0.38
PLAU P00749 1/20 0.37
PRKAB2 O43741 1/20 0.37

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
SCHEMBL4676906 1.00 CCR2 (0.46) CCR2AVPR1AOPRM1OPRK1OPRL1
SCHEMBL4671470 0.90 MMP1 (0.45) CCR2AVPR1AOPRM1OPRK1OPRL1
SCHEMBL7511674 0.83 OPRM1 (0.48) OPRM1OPRK1OPRL1SLC6A4IKBKB
SCHEMBL4671071 0.83 MAPT (0.55) CCR2OPRM1OPRK1OPRL1
SCHEMBL4674188 0.82 HSD11B1 (0.55) CCR2OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4674185 0.82 HSD11B1 (0.55) CCR2OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4673400 0.82 OPRM1 (0.46) OPRM1OPRK1OPRL1SLC6A4CTSS
SCHEMBL18324824 0.78 SLC6A4 (0.53) CCR2AVPR1AOPRM1OPRK1OPRL1
SCHEMBL27573221 0.76 AVPR1A (0.60) CCR2AVPR1AOPRM1OPRK1OPRL1
SCHEMBL8103890 0.74 SLC6A4 (0.53) AVPR1AOPRM1OPRK1OPRL1SLC6A4

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 6 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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed