SCHEMBL6970591

SCHEMBL6970591

CC(C)(C)OOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
CNR1 P21554 1/20 0.65
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL6979984 0.89 GAA (0.74) GAACNR1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL6982617 0.82 GAA (0.65) GAACNR1NPSR1ALDH1A1POLB
SCHEMBL7086266 0.78 ALDH1A1 (0.59) GAAALDH1A1LMNANPC1RAB9A
SCHEMBL5736874 0.77 F10 (0.64) GAACNR1NPSR1SMN1; SMN2LMNA
SCHEMBL5253160 0.77 POLB (0.70) GAACNR1LMNAPOLBKMT2A
Hydrochloric Acid SCHEMBL6978211 0.76 CNR1 (0.72) GAACNR1NPSR1ALDH1A1NPC1
SCHEMBL6980123 0.75 LSS (0.60) GAACNR1ALDH1A1LMNAPKM
SCHEMBL4801328 0.72 MEN1 (0.68) GAACNR1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL6972262 0.72 NPC1 (0.56) GAAALDH1A1NPC1RAB9ATSHR
SCHEMBL751747 0.72 CNR1 (0.69) GAACNR1NPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed