SCHEMBL4673293

SCHEMBL4673293

O=C(c1ccc(Cl)cc1)C1CCN(N2CCN(Cc3cccnc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.55
MAPK1 P28482 1/20 0.53
ACKR3 P25106 1/20 0.53
CACNA1I Q9P0X4 1/20 0.52
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
TACR3 P29371 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48

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
SCHEMBL13391389 0.89 TACR3 (0.53) SLC18A3MAPK1ACKR3CACNA1ITACR3
SCHEMBL4673290 0.83 ACKR3 (0.48) SLC18A3MAPK1ACKR3CACNA1IHTR2A
SCHEMBL8147775 0.78 KDM2B (0.64) KMT2A
SCHEMBL13391205 0.76 CYP3A4 (0.61) KMT2A
SCHEMBL13391092 0.76 LSS (0.58) KMT2A
SCHEMBL9444470 0.76 KCNH2 (0.56) SLC18A3MAPK1DRD4KMT2AHIF1A
SCHEMBL10373778 0.76 ACKR3 (0.53) MAPK1ACKR3HTR2ADRD2DRD4
SCHEMBL10371147 0.75 MGLL (0.56) MAPK1ACKR3HTR2AHTR2CHTR2B
SCHEMBL13391351 0.75 TACR3 (0.47) SLC18A3MAPK1ACKR3CACNA1ITACR3
SCHEMBL4670619 0.74 MGLL (0.55) KMT2A

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