SCHEMBL8720191

SCHEMBL8720191

COC(=O)CC1CCCN(C(=O)c2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 5/20 0.54
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM1A O60341 7/20 0.46
POLB P06746 1/20 0.45
PDE2A O00408 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL8560134 0.94 KDM1A (0.49) GRM3ALDH1A1KDM1A
SCHEMBL8410939 0.90 GRM3 (0.50) GRM3KMT2AALDH1A1KDM1APOLB
SCHEMBL8407569 0.87 CCNK (0.51) GRM3ALDH1A1KDM1A
SCHEMBL8407175 0.85 GAA (0.47) ALDH1A1KDM1APOLB
Hydrochloric Acid SCHEMBL8407353 0.83 KMT2A (0.47) GRM3KMT2AALDH1A1KDM1APOLB
SCHEMBL8409542 0.81 MAOB (0.52) KMT2AALDH1A1POLB
SCHEMBL8715690 0.79 LTA4H (0.48) KDM1A
SCHEMBL8407511 0.79 MLNR (0.46) ALDH1A1KDM1A
SCHEMBL8407177 0.78 HTT (0.40) KDM1A
Hydrochloric Acid SCHEMBL8407950 0.76 ITGB3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed