SCHEMBL3634833

SCHEMBL3634833

C[C@@H](CN1CCC(n2c(=O)[nH]c3cccc(C(=O)C(C)(C)C)c32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.43
OPRL1 P41146 3/20 0.43
OPRK1 P41145 1/20 0.43
PLD1 Q13393 3/20 0.41
PLD2 O14939 3/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3636203 0.89 BCHE (0.46) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL3636443 0.85 OPRM1 (0.47) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL3635533 0.83 OPRM1 (0.46) OPRM1OPRL1OPRK1PLD1DRD2
SCHEMBL3666702 0.81 OPRM1 (0.65) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL3636808 0.81 OPRM1 (0.65) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL3639475 0.78 OPRM1 (0.61) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL3635861 0.76 OPRM1 (0.60) OPRM1OPRL1OPRK1PLD1KDM4E
SCHEMBL3630082 0.74 OPRM1 (0.46) OPRM1OPRL1OPRK1PLD1BCHE
SCHEMBL3636335 0.72 OPRM1 (0.63) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL3633222 0.71 CALCRL (0.49) OPRM1OPRL1OPRK1PLD1PLD2

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-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