SCHEMBL6974183

SCHEMBL6974183

Cc1nccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)n1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.76
GAA P10253 1/20 0.61
CNR1 P21554 1/20 0.60
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 4/20 0.54
USP2 O75604 3/20 0.54
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
F10 P00742 1/20 0.52

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
SCHEMBL6980932 0.93 LSS (0.77) LSSGAACNR1NPSR1NPC1
SCHEMBL6977537 0.90 LSS (0.93) LSSGAAHTTUSP2MAPK1
SCHEMBL6975619 0.87 LSS (0.62) LSSCNR1NPSR1HTTRAB9A
SCHEMBL6182258 0.86 LSS (1.00) LSSCNR1USP2MAPK1TSHR
SCHEMBL6180071 0.84 LSS (0.75) LSSGAACNR1NPSR1HTT
SCHEMBL6977994 0.83 LSS (0.93) LSSNPSR1TSHRNPC1RAB9A
SCHEMBL7650545 0.82 CNR1 (0.64) LSSGAACNR1NPSR1HTT
SCHEMBL7654703 0.82 HTR7 (0.56) LSSNPSR1HTTMAPTLMNA
SCHEMBL8309729 0.81 LSS (0.89) LSSCNR1USP2MAPK1TSHR
SCHEMBL6981479 0.79 CNR1 (0.59) LSSGAACNR1NPSR1HTT

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