SCHEMBL8046379

SCHEMBL8046379

CN(C)Cc1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ MAPT P10636 5/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ ACHE P22303 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK4 Q16654 1/20 0.43

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
Hydrochloric Acid SCHEMBL9151212 0.99 MAPK1 (0.60) MAPK1NPSR1GAAHTTMAPT
Hydrochloric Acid SCHEMBL9152757 0.85 LSS (0.57) MAPK1NPSR1GAAHTTMAPT
Hydrochloric Acid SCHEMBL9151033 0.83 MAPK1 (0.59) MAPK1GAAMAPTTDP1POLB
Hydrochloric Acid SCHEMBL9148032 0.81 SRD5A2 (0.55) MAPK1HTTMAPTPOLBKMT2A
SCHEMBL1149258 0.79 MAPK1 (0.72) MAPK1NPSR1GAAHTTMAPT
SCHEMBL9440478 0.77 MAPK1 (0.69) MAPK1NPSR1GAAHTTMAPT
SCHEMBL10730672 0.77 MAPK1 (0.69) MAPK1NPSR1GAAHTTMAPT
SCHEMBL6314599 0.76 MAPK1 (0.68) MAPK1NPSR1GAAHTTMAPT
SCHEMBL11754291 0.76 MAPK1 (0.68) MAPK1NPSR1GAAHTTMAPT
SCHEMBL6846139 0.76 MAPK1 (1.00) MAPK1NPSR1GAAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 — — EP claimed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 — — US claimed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 — — EP claimed
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 — — EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 — — US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 — — US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 — — US disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 — — EP disclosed
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