SCHEMBL4673290

SCHEMBL4673290

O=C(c1ccc(Cl)cc1)C1CC[N][C@H](N2CCN(Cc3cccnc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC18A3 Q16572 4/20 0.47
CACNA1I Q9P0X4 1/20 0.46
TACR3 P29371 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4673293 0.83 SLC18A3 (0.55) ACKR3MAPK1SLC18A3CACNA1ITACR3
SCHEMBL8147774 0.82 KDM2B (0.55)
SCHEMBL13391389 0.79 TACR3 (0.53) ACKR3MAPK1SLC18A3CACNA1ITACR3
SCHEMBL4670616 0.79 MGLL (0.41)
SCHEMBL8149178 0.78 MGLL (0.48) SMN1; SMN2
SCHEMBL8153997 0.77 KDM2B (0.41) SMN1; SMN2
SCHEMBL7325935 0.76 MGLL (0.46)
SCHEMBL4671256 0.76 MGLL (0.46)
SCHEMBL8148475 0.76 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2FNTAFNTB
SCHEMBL8140788 0.75 ALDH1A1 (0.48)

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 4 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-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed