SCHEMBL3635533

SCHEMBL3635533

C[C@@H](CN1CCC(n2c(=O)[nH]c3cccc(-c4ccccc4)c32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
OPRL1 P41146 2/20 0.46
OPRK1 P41145 1/20 0.46
DRD2 P14416 9/20 0.46
DRD4 P21917 9/20 0.46
DRD3 P35462 7/20 0.46
PLD1 Q13393 1/20 0.44
AKT1 P31749 3/20 0.42
AKT2 P31751 3/20 0.41
AKT3 Q9Y243 2/20 0.41

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
SCHEMBL3636443 0.89 OPRM1 (0.47) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL3666702 0.84 OPRM1 (0.65) OPRM1OPRL1OPRK1DRD2PLD1
SCHEMBL3636808 0.84 OPRM1 (0.65) OPRM1OPRL1OPRK1DRD2PLD1
SCHEMBL3636203 0.84 BCHE (0.46) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL3634833 0.83 OPRM1 (0.43) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL3639475 0.81 OPRM1 (0.61) OPRM1OPRL1OPRK1PLD1
SCHEMBL3635861 0.79 OPRM1 (0.60) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL3630082 0.78 OPRM1 (0.46) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL3636335 0.75 OPRM1 (0.63) OPRM1OPRL1OPRK1DRD2PLD1
SCHEMBL3633222 0.75 CALCRL (0.49) OPRM1OPRL1OPRK1DRD2DRD4

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