SCHEMBL6019384

SCHEMBL6019384

C=CCN(C)CCCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.73
HTR2C P28335 5/20 0.43
HTR2A P28223 4/20 0.43
HTR7 P34969 3/20 0.41
HTR2B P41595 1/20 0.41
NAMPT P43490 1/20 0.35

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
SCHEMBL6019387 1.00 LSS (0.73) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018776 0.97 LSS (0.78) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018781 0.97 LSS (0.78) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018706 0.96 LSS (0.80) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018710 0.96 LSS (0.80) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6020065 0.94 LSS (0.67) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6020069 0.94 LSS (0.67) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018402 0.90 LSS (0.61) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018406 0.90 LSS (0.61) LSSHTR2CHTR2AHTR7HTR2B
SCHEMBL6018391 0.88 LSS (0.64) LSSHTR2CHTR2AHTR7HTR2B

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
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed