SCHEMBL3980650

SCHEMBL3980650

COc1ccccc1N1CCN(CCCCN)CC1.O=C(O)C1=Cc2cc(Cl)ccc2SC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD3 P35462 9/20 0.51
CACNA1G O43497 2/20 0.51
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DRD4 P21917 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL3980647 0.92 CACNA1G (0.55) DRD2DRD3CACNA1GADRA1AKDM4E
SCHEMBL3980649 0.85 DRD2 (0.64) DRD2DRD3ADRA1ADRD4MEN1
SCHEMBL3982337 0.84 KCNH2 (0.53) DRD2CACNA1GDRD4
SCHEMBL3976405 0.83 ALDH1A1 (0.49) DRD2DRD3ADRA1AKDM4EALDH1A1
SCHEMBL3974517 0.80 HTR1A (0.42) DRD2DRD3KDM4EALDH1A1TDP1
SCHEMBL3975562 0.78 HTR1A (0.45) DRD2DRD3ADRA1AALDH1A1
SCHEMBL30080718 0.76 HTR1A (0.77) DRD2DRD3ADRA1AKDM4EALDH1A1
SCHEMBL946736 0.76 HTR1A (0.77) DRD2DRD3ADRA1AKDM4EALDH1A1
SCHEMBL30080722 0.76 HTR1A (0.77) DRD2DRD3ADRA1AKDM4EALDH1A1
SCHEMBL3973177 0.75 KCNH2 (0.48) DRD2DRD3

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-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed