SCHEMBL7370397

SCHEMBL7370397

CC1(C)CCCN(S(=O)(=O)c2cccc(CN3CCCC3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 3/20 0.52
USP2 O75604 3/20 0.52
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CD4 P01730 2/20 0.45
SORT1 Q99523 1/20 0.45

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
SCHEMBL7398579 0.86 POLB (0.48) TSHRCYP2D6CYP3A4USP2CYP1A2
SCHEMBL26620048 0.84 TSHR (0.52) TSHRCYP2D6CYP3A4USP2CYP1A2
SCHEMBL7365554 0.80 L3MBTL1 (0.47) ALDH1A1POLBGAAKDM4EL3MBTL1
SCHEMBL26620363 0.77 TSHR (0.52) TSHRCYP2D6USP2SMN1; SMN2ALDH1A1
SCHEMBL7363772 0.77 CYP1A2 (0.47) TSHRCYP2D6CYP3A4USP2CYP1A2
SCHEMBL7363713 0.76 HTR6 (0.42) TSHRCYP2D6CYP3A4USP2CYP1A2
SCHEMBL24315792 0.76 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL14025678 0.76 ALDH1A1 (0.54) TSHRSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL26620047 0.76 TSHR (0.50) TSHRCYP2D6CYP3A4USP2CYP1A2
SCHEMBL31010278 0.75 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200397-A1 SULFONAMIDE SUBSTITUTED BENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICAMENTS ELI LILLY AND COMPANY LIMITED (GB) 2002-05-02 EP disclosed
WO-2001004087-A1 SULFONAMIDE SUBSTITUTED BENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICAMENTS ELI LILLY AND COMPANY LIMITED (GB) 2001-01-18 WO disclosed