SCHEMBL3840317

SCHEMBL3840317

CCCCCC(N)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.68
EPHX1 P07099 1/20 0.59
SIGMAR1 Q99720 5/20 0.54
ANPEP P15144 1/20 0.52
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP2D6 P10635 1/20 0.47
CNR2 P34972 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
SCHEMBL15579942 1.00 CSNK1E (0.68) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL11455433 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL8161936 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Hydrochloric Acid SCHEMBL29046415 0.98 CSNK1E (0.66) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL10399079 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL873387 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL1829488 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL8420654 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
SCHEMBL4878177 0.98 CSNK1E (0.71) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2
Bromide SCHEMBL14128593 0.96 CSNK1E (0.69) CSNK1EEPHX1SIGMAR1ANPEPSLC6A2

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-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-0572365-A2 Heteroprostanoids, process for their production and therapeutical use thereof NUOVO CONSORZIO SANITARIO NAZIONALE del Dott. Paolo Malizia & C. - S.A.S. (IT) 1993-12-01 EP disclosed