SCHEMBL6980904

SCHEMBL6980904

Cc1cc(N2CCC(C(=O)N3CCCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)ncn1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.68
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7654951 0.96 LSS (0.72) LSSNPC1RAB9AALDH1A1TSHR
SCHEMBL6975859 0.87 LSS (0.71) LSSNPC1RAB9AALDH1A1TSHR
SCHEMBL6980850 0.87 LSS (0.61) LSSNPC1RAB9AALDH1A1TSHR
SCHEMBL6977459 0.85 LSS (0.93) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6979430 0.85 LSS (0.72) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL7085163 0.84 LSS (0.69) LSSNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6977994 0.84 LSS (0.93) LSSNPC1RAB9AALDH1A1TSHR
SCHEMBL6967361 0.83 LSS (0.53) LSSHPGD
SCHEMBL7336119 0.81 LSS (1.00) LSSALDH1A1TSHRL3MBTL1NPSR1
SCHEMBL6182258 0.79 LSS (1.00) LSSNPC1RAB9AALDH1A1TSHR

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