SCHEMBL8304855

SCHEMBL8304855

CC(=O)c1cccn1NC(=O)CN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
BAZ2B Q9UIF8 2/20 0.31
BAZ2A Q9UIF9 2/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 1/20 0.31

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
Hydrochloric Acid SCHEMBL8303414 0.98 HCAR2 (0.34) HCAR2CA1CA2CYP1A2CYP3A4
SCHEMBL9122354 0.83 HCAR2 (0.33) HCAR2CA1CA2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8303408 0.81 HCAR2 (0.33) HCAR2CA1CA2CYP1A2CYP3A4
SCHEMBL10909763 0.80 RECQL (0.49) CYP1A2CYP3A4RECQLNPC1RAB9A
Hydrochloric Acid SCHEMBL10366206 0.78 RECQL (0.48) CYP1A2CYP3A4RECQLNPC1RAB9A
Bromide SCHEMBL10365710 0.78 RECQL (0.48) CYP1A2CYP3A4RECQLNPC1RAB9A
SCHEMBL8304521 0.76 HPGD (0.41) CYP1A2CYP3A4NPC1RAB9A
SCHEMBL8304637 0.76 NPC1 (0.48) CA1CA2RECQLNPC1RAB9A
SCHEMBL8307864 0.76 CA1 (0.36) HCAR2CA1CA2
Hydrochloric Acid SCHEMBL8305722 0.75 NPC1 (0.47) CA1CA2RECQLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582182-B1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST MARION ROUSSEL INC (US) 1999-10-20 EP claimed
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US claimed
EP-0582182-B1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST MARION ROUSSEL INC (US) 1999-10-20 EP disclosed
US-5605925-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-02-25 US disclosed
US-5580987-A TREATING 1-PHTHALIMIDOPYRROLE WITH BASE TO YIELD 1-AMINOPYRROLE, REACTING WITH SUBSTITUTED AMINO ACID TO OBTAIN DESIRED COMPOUND HOECHST MARION ROUSSEL, INC. (US) 1996-12-03 US disclosed
US-5576446-A GLYCINE PARTIAL AGONIST AND ENHANCEMENT OF LEARNING AND MEMORY, TREATMENT OF ALZHEIMER'S HOECHST MARION ROUSSEL, INC. (US) 1996-11-19 US disclosed
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
EP-0582182-A1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-09 EP disclosed
US-5274116-A 1-aminoacetamidopyrroles and 1-aminoacetamido-2-(substituted)pyrroles and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-12-28 US disclosed