SCHEMBL4554098

SCHEMBL4554098

O=C1OCC2Cc3ccccc3N12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 1.00
HTR6 P50406 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
GOT1 P17174 1/20 0.39
KYAT1 Q16773 1/20 0.39
KYAT3 Q6YP21 1/20 0.39
OXTR P30559 3/20 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
SCHEMBL29896718 1.00 NOTUM (1.00) NOTUMHTR6OPRM1OPRK1OPRL1
SCHEMBL21839107 1.00 NOTUM (1.00) NOTUMHTR6OPRM1OPRK1OPRL1
SCHEMBL17382966 1.00 NOTUM (1.00) NOTUMHTR6OPRM1OPRK1OPRL1
SCHEMBL7310227 0.83 NOTUM (0.71) NOTUMHTR6OPRM1OPRK1OPRL1
SCHEMBL31091230 0.75 NOTUM (0.60) NOTUMOPRM1OPRK1OPRL1AADAT
SCHEMBL31091229 0.75 NOTUM (0.60) NOTUMOPRM1OPRK1OPRL1AADAT
SCHEMBL157086 0.75 NOTUM (0.60) NOTUMOPRM1OPRK1OPRL1AADAT
SCHEMBL17372888 0.74 NOTUM (0.58) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL17372889 0.74 NOTUM (0.58) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL21839140 0.73 NOTUM (0.57) NOTUMHTR6

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-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed