SCHEMBL8880200

SCHEMBL8880200

NC1(C(=O)Nn2cccc2)CCCC1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC15A2 Q16348 1/20 0.30
HDAC4 P56524 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
Hydrochloric Acid SCHEMBL8879608 0.98
SCHEMBL8879835 0.92
Hydrochloric Acid SCHEMBL8879846 0.90
SCHEMBL20837330 0.68 DGAT1 (0.43) CTSCKCNH2CYP2C19ALDH1A1LMNA
SCHEMBL3107018 0.66 HDAC4 (0.42) CTSCKCNH2CYP2C19ALDH1A1LMNA
SCHEMBL4121086 0.66 CYP3A4 (0.37) CTSCKCNH2CYP2C19ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11798891 0.66 HDAC4 (0.39) CTSCKCNH2HDAC4
SCHEMBL1258017 0.65
SCHEMBL4133242 0.64 CYP3A4 (0.40) CTSCKCNH2CYP2C19ALDH1A1LMNA
SCHEMBL28674194 0.64 FAAH (0.50) LMNAHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US claimed
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