SCHEMBL2224540

SCHEMBL2224540

CC(C)(C)N1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD3 P35462 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRM1 P35372 2/20 0.48
MAPT P10636 2/20 0.42
ADRA2C P18825 1/20 0.42
HTR7 P34969 4/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 1/20 0.41
KIF11 P52732 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL9723025 0.85 DRD2 (0.68) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL30822482 0.81 ADRA2C (0.66) MEN1KMT2AOPRM1MAPTADRA2C
SCHEMBL10244469 0.81 ADRB1 (0.59) MAPTHTR7ALDH1A1LMNAGAA
SCHEMBL29566812 0.80 DRD2 (0.68) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL1039861 0.80 DRD2 (0.68) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL15534827 0.80 HTR3A (0.50) DRD2DRD3MAPTHTR7ALDH1A1
SCHEMBL10294019 0.79 HTR3E (0.58) MAPTHTR7ALDH1A1LMNASMN1; SMN2
SCHEMBL3866217 0.79 DHFR (0.47) MEN1KMT2AMAPTADRA2CHTR7
SCHEMBL117340 0.79 ALDH1A1 (0.45) MAPTADRA2CALDH1A1LMNAGAA
Bromide SCHEMBL4507734 0.79 DRD2 (0.66) DRD2DRD3MEN1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544535-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE North Carolina Central University (US) 2013-01-16 EP claimed
WO-2011112858-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-09-15 WO claimed
WO-2011084503-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-07-14 WO disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO disclosed