SCHEMBL7363713

SCHEMBL7363713

CN1CCN(CCCNCc2cccc(S(=O)(=O)N3CCCC(C)(C)C3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HTR7 P34969 1/20 0.40
GAA P10253 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
NAMPT P43490 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7366156 0.91 SMN1; SMN2 (0.48) KMT2AGAACYP3A4CYP2D6NAMPT
SCHEMBL7365554 0.81 L3MBTL1 (0.47) KMT2ANPC1GAALMNAALDH1A1
SCHEMBL7370397 0.76 TSHR (0.52) GAACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7398579 0.70 POLB (0.48) KMT2AGAACYP1A2CYP3A4CYP2D6
SCHEMBL7363772 0.70 CYP1A2 (0.47) KMT2AGAACYP1A2CYP3A4CYP2D6
SCHEMBL3181062 0.68 CYP2C19 (0.55) CYP3A4CYP2D6
SCHEMBL3957737 0.67 MAPT (0.60) KMT2ATSHRLMNAALDH1A1MEN1
SCHEMBL26620048 0.67 TSHR (0.52) CYP1A2CYP3A4CYP2D6TSHRUSP2
SCHEMBL3171946 0.67 DPP7 (0.57) KMT2ACYP3A4CYP2D6
SCHEMBL307106 0.65 POLB (0.61) KMT2ANPC1APOBEC3AAPOBEC3GTSHR

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