SCHEMBL8409563

SCHEMBL8409563

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH3 Q9Y5N1 4/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HTR2B P41595 3/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40

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
SCHEMBL8407957 0.90 POLB (0.43) SMN1; SMN2ALDH1A1HRH3POLBLMNA
SCHEMBL8407358 0.88 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBLMNAHTR2B
SCHEMBL9186836 0.87 ITGB3 (0.51) SMN1; SMN2
SCHEMBL8885430 0.86 HPGD (0.51) SMN1; SMN2ALDH1A1HRH3HPGD
Hydrochloric Acid SCHEMBL8409916 0.86 ITGB3 (0.50) SMN1; SMN2
SCHEMBL8409106 0.85 HPGD (0.44) SMN1; SMN2ALDH1A1HRH3POLBLMNA
SCHEMBL8410914 0.85 ITGB3 (0.42) SMN1; SMN2ALDH1A1HRH3POLBGAA
SCHEMBL9568214 0.82 HRH3 (0.39) SMN1; SMN2ALDH1A1HRH3POLBLMNA
Hydrochloric Acid SCHEMBL8714662 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HRH3POLBLMNA
SCHEMBL8407569 0.81 CCNK (0.51) SMN1; SMN2ALDH1A1TSHREPHX2

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