SCHEMBL6662356

SCHEMBL6662356

CCC1CCCC1(C(=O)ON(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.43
SLC22A1 O15245 1/20 0.38
SLC6A3 Q01959 6/20 0.38
SLC6A4 P31645 5/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6660824 0.79 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL28838197 0.75 AKR1C1 (0.45) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL27499030 0.75 SLC22A1 (0.47) SLC6A2SLC22A1SLC6A4
SCHEMBL8320731 0.71 SLC22A1 (0.51) SLC22A1SLC6A4
SCHEMBL4661013 0.71 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL18752266 0.71 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
Hydrochloric Acid SCHEMBL8316995 0.71 SLC22A1 (0.50) SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL4021178 0.70 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL28922772 0.69 ADAM17 (0.42)
SCHEMBL7629979 0.68 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C

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
EP-1441706-A2 ANTIMUSCARINIC AEROSOL Pharmacia & Upjohn Company (US) 2004-08-04 EP claimed
WO-2003039464-A2 ANTIMUSCARINIC AEROSOL PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed