SCHEMBL7654703

SCHEMBL7654703

Cc1nccc(N2CCN(CC3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56
LSS P48449 3/20 0.52
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.45
CHRM4 P08173 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
GBA1 P04062 1/20 0.43
HSD11B1 P28845 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7682080 0.83 LSS (0.54) LSSKDM4EGBA1HSD11B1ALDH1A1
SCHEMBL6974183 0.82 LSS (0.76) LSSLMNAHSD17B10NPSR1HTT
SCHEMBL7662005 0.82 HTR7 (0.49) HTR7HTR6LSSLMNACHRM4
SCHEMBL6975619 0.80 LSS (0.62) LSSLMNAKDM4EHSD17B10GBA1
SCHEMBL9514839 0.78 GBA1 (0.65) LSSKDM4EGBA1HSD11B1NPSR1
SCHEMBL6980932 0.75 LSS (0.77) LSSNPSR1ALDH1A1
SCHEMBL9517357 0.75 LSS (0.55) LSSLMNAGBA1HSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL7652417 0.74 HRH4 (0.46) HSD17B10
Hydrochloric Acid SCHEMBL7654208 0.72 HRH4 (0.49) LSSCHRM4GPBAR1HSD17B10MAPT
SCHEMBL6977537 0.72 LSS (0.93) LSSLMNAKDM4EHSD17B10ALDH1A1

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-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed