SCHEMBL3489039

SCHEMBL3489039

O=C1[C]C(=O)NC=C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL616019 0.64
Hydrochloric Acid SCHEMBL28869240 0.61
SCHEMBL931784 0.61
SCHEMBL993107 0.59
SCHEMBL28448992 0.55
SCHEMBL2489445 0.54
Hydrochloric Acid SCHEMBL2262288 0.53
Hydrochloric Acid SCHEMBL2261252 0.53
SCHEMBL19266356 0.50
SCHEMBL2489548 0.46

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
EP-0328830-A1 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds Ohmeda Pharmaceutical Products Division Inc. (US) 1989-08-23 EP claimed
US-4831192-A Methods of preparing 4-heteropentacyclic-4-(N-phenyl)amido) piperidine derivatives and intermediate compounds BOC, INC. (US) 1989-05-16 US claimed
US-4791120-A ANALGESICS THE BOC GROUP, INC. (US) 1988-12-13 US claimed
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US disclosed
US-4871749-A ANALGESICS, ANESTHETICS; SIDE EFFECT REDUCTION BOC, INC. (US) 1989-10-03 US disclosed
EP-0328830-A1 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds Ohmeda Pharmaceutical Products Division Inc. (US) 1989-08-23 EP disclosed
EP-0328830-A1 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds Ohmeda Pharmaceutical Products Division Inc. (US) 1989-08-23 EP disclosed
US-4831192-A Methods of preparing 4-heteropentacyclic-4-(N-phenyl)amido) piperidine derivatives and intermediate compounds BOC, INC. (US) 1989-05-16 US disclosed
US-4791120-A ANALGESICS THE BOC GROUP, INC. (US) 1988-12-13 US disclosed