SCHEMBL3637576

SCHEMBL3637576

O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCN2Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.71
OPRL1 P41146 3/20 0.71
OPRK1 P41145 2/20 0.71
DRD4 P21917 1/20 0.55
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
PLD1 Q13393 1/20 0.54

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
SCHEMBL3636451 0.97 OPRM1 (0.72) OPRM1OPRL1OPRK1DRD4AKT1
SCHEMBL3665096 0.83 OPRM1 (1.00) OPRM1OPRL1OPRK1DRD4AKT1
SCHEMBL3741111 0.82 CHRM2 (0.59) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL3758854 0.80 OPRM1 (0.52) OPRM1OPRL1OPRK1
SCHEMBL6591096 0.80 OPRM1 (0.97) OPRM1OPRL1OPRK1DRD4CHRM2
Oxalic Acid SCHEMBL5778025 0.79 OPRM1 (0.91) OPRM1OPRL1OPRK1DRD4AKT1
SCHEMBL8863557 0.79 OPRM1 (0.91) OPRM1OPRL1OPRK1DRD4AKT1
SCHEMBL4922697 0.79 OPRM1 (1.00) OPRM1OPRL1OPRK1DRD4CHRM2
SCHEMBL11223608 0.79 OPRM1 (0.86) OPRM1OPRL1OPRK1DRD4AKT1
SCHEMBL4913077 0.79 OPRM1 (1.00) OPRM1OPRL1OPRK1DRD4CHRM2

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