SCHEMBL7398579

SCHEMBL7398579

CC1(C)CCCN(S(=O)(=O)c2cccc(CN3CCN(c4ccc(F)cc4)CC3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7370397 0.86 TSHR (0.52) POLBALDH1A1GAASMN1; SMN2USP2
SCHEMBL26620048 0.76 TSHR (0.52) POLBALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL5772884 0.72 ALDH1A1 (0.57) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL7365554 0.72 L3MBTL1 (0.47) POLBALDH1A1GAAMAPTRAB9A
SCHEMBL26620363 0.71 TSHR (0.52) POLBALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL24315792 0.71 TSHR (0.57) POLBALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL14025677 0.71 DRD2 (0.58) ALDH1A1MAPTTSHRDRD2MEN1
SCHEMBL7363713 0.70 HTR6 (0.42) ALDH1A1GAAMAPK1USP2CYP1A2
SCHEMBL26620047 0.70 TSHR (0.50) POLBALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL26620197 0.69 TSHR (0.55) POLBALDH1A1SMN1; SMN2MAPTMAPK1

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