SCHEMBL5168618

SCHEMBL5168618

IC1(c2ccccc2)N=NN=N1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
MAPT P10636 1/20 0.30
MAOB P27338 5/20 0.30
MAOA P21397 4/20 0.30
PNMT P11086 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL5274311 0.72 OPRM1 (0.33) OPRM1OPRK1OPRL1MAPTMAOB
SCHEMBL4552878 0.72 VNN1 (0.32) OPRM1OPRK1OPRL1
Bromide SCHEMBL29801969 0.70 OPRM1 (0.32) OPRM1OPRK1OPRL1MAPTMAOB
SCHEMBL4593434 0.70 TSHR (0.35) MAOBMAOATAAR1
SCHEMBL5276695 0.68 ALDH1A1 (0.38) OPRM1OPRK1OPRL1
SCHEMBL4666989 0.68 CYP2C9 (0.33) OPRM1OPRK1OPRL1MAPT
SCHEMBL434296 0.68 KMT2A (0.33) OPRM1OPRK1OPRL1MAPT
SCHEMBL5274478 0.68 ALDH1A1 (0.31) OPRM1OPRK1OPRL1MAPTMAOB
SCHEMBL474067 0.68 OPRM1 (0.31) OPRM1OPRK1OPRL1MAPTMAOB
SCHEMBL7551055 0.68 PNMT (0.39) MAOBMAOAPNMTTAAR1

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
EP-1773125-A1 5-IODOTETRAZOLES Lanxess Deutschland GmbH (DE) 2007-04-18 EP disclosed
WO-2006012996-A1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-02-09 WO disclosed