SCHEMBL6175852

SCHEMBL6175852

C[C@@H](CO)n1cnc2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.42
HCAR3 P49019 1/20 0.42
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
NTRK1 P04629 2/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
USP2 O75604 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19848382 0.87 NPSR1 (0.46) NPSR1PKMHCAR3KDM4ERAB9A
SCHEMBL7726987 0.84 HCAR3 (0.54) NPSR1PKMHCAR3DHODHKDM4E
SCHEMBL6176252 0.81 HCAR3 (0.44) NPSR1HCAR3KDM4ERAB9AGFER
SCHEMBL19848144 0.76 PDE2A (0.39) NPSR1
SCHEMBL6176862 0.75 NPSR1 (0.46) NPSR1PKMDHODHRAB9AMAPT
SCHEMBL6284404 0.75 NPSR1 (0.46) NPSR1PKMDHODHRAB9AMAPT
SCHEMBL6178549 0.75 HCAR3 (0.58) HCAR3RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6179506 0.74 MEN1 (0.58) RAB9AMAPTNPC1GAASMN1; SMN2
SCHEMBL6758779 0.73 NPSR1 (0.51) NPSR1PKMKDM4ERAB9AGFER
SCHEMBL9598373 0.72 NPSR1 (0.48) NPSR1PKMDHODHKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO disclosed