SCHEMBL5774325

SCHEMBL5774325

CC(C)(C)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.78
OPRK1 P41145 2/20 0.77
OPRL1 P41146 2/20 0.77
HSD11B1 P28845 1/20 0.66
AKT1 P31749 1/20 0.64
AKT2 P31751 1/20 0.64
AKT3 Q9Y243 1/20 0.64
DRD4 P21917 2/20 0.61
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CHRM1 P11229 2/20 0.60
DRD2 P14416 2/20 0.60
CACNA1F O60840 1/20 0.60
CHRM2 P08172 1/20 0.60
DRD1 P21728 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60

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 0.87 OPRM1 (1.00) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL20763210 0.85 OPRM1 (1.00) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL7849321 0.84 OPRM1 (1.00) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL22605775 0.83 HSD11B1 (0.73) OPRM1OPRK1OPRL1HSD11B1CHRM1
Oxalic Acid SCHEMBL5778025 0.83 OPRM1 (0.91) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL8863557 0.83 OPRM1 (0.91) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL12375874 0.82 OPRM1 (0.77) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL1436457 0.81 OPRM1 (0.79) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL3634015 0.81 OPRM1 (0.83) OPRM1OPRK1OPRL1AKT1AKT2
SCHEMBL7849288 0.81 OPRM1 (0.76) OPRM1OPRK1OPRL1AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US claimed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 WO disclosed