SCHEMBL8476166

SCHEMBL8476166

CC(C1CCCN1)n1c(S(=O)(=O)N(CCCN2CCCC2=O)C(c2ccccc2)c2ccccc2)cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.36
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TYRO3 Q06418 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL8476161 0.83 ADRA1B (0.37) ADRA1BHPGDKDM4EALDH1A1L3MBTL1
SCHEMBL8472492 0.79 SLC6A3 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL8473142 0.79 SLC6A3 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL8472218 0.79 ADRA1B (0.41) ADRA1BHPGDKDM4EALDH1A1L3MBTL1
SCHEMBL8472623 0.78 ADRA1B (0.42) ADRA1BHPGDKDM4EALDH1A1L3MBTL1
SCHEMBL8476163 0.78 ADRA1B (0.43) ADRA1BHPGDKDM4EALDH1A1L3MBTL1
SCHEMBL8472553 0.72 ADRA1B (0.41) ADRA1BHPGDKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8473256 0.71 L3MBTL1 (0.40) ADRA1BHPGDKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8474668 0.64 KDM4E (0.42) HPGDKDM4EALDH1A1L3MBTL1MAPK1
SCHEMBL8472494 0.64 KMT2A (0.36) KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782987-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed