SCHEMBL10462952

SCHEMBL10462952

CC(=O)Nc1ccc(CCOCCCCCCN(CC(=O)c2cccc(O)c2)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.41
▸ ACHE P22303 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL9763316 0.81 ADRB2 (0.47) —
SCHEMBL9762641 0.80 CCR5 (0.41) MAOBPDK1TSHROPRK1DRD2
Bromide SCHEMBL9762763 0.78 ADRB2 (0.43) TSHROPRK1DRD2DRD3ALDH1A1
SCHEMBL9763274 0.76 ADRB2 (0.39) MAOBACHETSHROPRK1DRD2
SCHEMBL9763349 0.76 ADRB2 (0.44) PDK1TSHROPRK1DRD2DRD3
SCHEMBL9763673 0.75 ADRB2 (0.40) MAOBTSHROPRK1DRD2DRD3
SCHEMBL9763053 0.75 ADRB2 (0.41) MAOBTSHROPRK1DRD2DRD3
SCHEMBL25053635 0.74 HDAC1 (0.48) ACHELMNAHTTCYP2C9
SCHEMBL9763287 0.74 ADRB2 (0.53) TSHROPRK1DRD2DRD3CYP2C9
SCHEMBL9764542 0.73 ADRB2 (0.41) MAOBALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 — — US disclosed
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