SCHEMBL4662697

SCHEMBL4662697

C[C@H](O)c1ccccc1NCc1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.42
APP P05067 1/20 0.41
HTR6 P50406 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KCNH2 Q12809 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4661432 1.00 NAMPT (0.42) NAMPTAPPHTR6HTR2AHTR2C
SCHEMBL10490374 0.84 HSD17B10 (0.50) APPHSD17B10ALDH1A1POLBHPGD
SCHEMBL4661227 0.79 MEN1 (0.42) APPHSD17B10ALDH1A1POLBHPGD
SCHEMBL4661438 0.74 HTR6 (0.45) NAMPTHTR6HTR2AHTR2CHSD17B10
SCHEMBL4664189 0.73 TYMS (0.46) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL12859084 0.71 HSD17B10 (0.53) HSD17B10POLBHPGDL3MBTL1MAPT
SCHEMBL9080937 0.71 CYP3A4 (0.57) NAMPTHTR6HSD17B10ALDH1A1POLB
SCHEMBL15015553 0.70 ITGB3 (0.41) HSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL28941489 0.70 HTR2A (0.64) HTR6HTR2AHTR2CKCNH2POLB
SCHEMBL24589993 0.69 HTR6 (0.56) HTR6ALDH1A1POLBHPGDL3MBTL1

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-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed