SCHEMBL8407358

SCHEMBL8407358

CNC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
HTR2B P41595 2/20 0.45
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 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
SCHEMBL8409563 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAPOLBHTR2B
SCHEMBL8407952 0.87 ITGB3 (0.49) SMN1; SMN2ALDH1A1ITGB3ITGA2BPOLB
SCHEMBL8407625 0.84 ITGB3 (0.48) SMN1; SMN2ALDH1A1ITGB3ITGA2BLMNA
SCHEMBL8863340 0.84 ITGB3 (0.61) SMN1; SMN2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8410466 0.82 ITGB3 (0.60) SMN1; SMN2ITGB3ITGA2B
SCHEMBL8885430 0.82 HPGD (0.51) SMN1; SMN2ALDH1A1
SCHEMBL9568118 0.79 POLB (0.45) SMN1; SMN2ALDH1A1ITGB3ITGA2BLMNA
SCHEMBL9568095 0.79 TGM2 (0.48) SMN1; SMN2ALDH1A1ITGB3ITGA2BLMNA
SCHEMBL8407957 0.78 POLB (0.43) SMN1; SMN2ALDH1A1ITGB3ITGA2BLMNA
Hydrochloric Acid SCHEMBL8407165 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ITGB3ITGA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
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