SCHEMBL3634015

SCHEMBL3634015

O=c1[nH]c2ccccc2n1C1CCN(CCC2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.83
OPRK1 P41145 1/20 0.83
OPRL1 P41146 1/20 0.83
DRD4 P21917 1/20 0.63
AKT1 P31749 1/20 0.63
AKT2 P31751 1/20 0.63
AKT3 Q9Y243 1/20 0.63
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
KCNH2 Q12809 1/20 0.62
ACHE P22303 1/20 0.62

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
SCHEMBL3665096 0.91 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL8863557 0.86 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4AKT1
Oxalic Acid SCHEMBL5778025 0.86 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4AKT1
Hydrochloric Acid SCHEMBL5386933 0.84 CYP2D6 (0.65) OPRM1OPRK1OPRL1DRD4CYP2D6
SCHEMBL5777954 0.84 OPRM1 (0.77) OPRM1OPRK1OPRL1DRD4CYP2D6
SCHEMBL11223608 0.84 OPRM1 (0.86) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL3636230 0.83 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRM1
SCHEMBL6404540 0.83 PLD1 (0.81) OPRM1OPRK1OPRL1DRD4CYP2D6
SCHEMBL5379395 0.83 HSD11B1 (0.66) OPRM1OPRK1OPRL1CYP2D6CYP2C9
SCHEMBL24709114 0.82 CYP2D6 (0.74) OPRM1OPRK1OPRL1DRD4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed