SCHEMBL3664396

SCHEMBL3664396

CC(C)(C)C1c2cccc(C#N)c2CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
AR P10275 7/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM1A O60341 1/20 0.34
CCR2 P41597 1/20 0.33
FFAR2 O15552 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1A P35348 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SSTR4 P31391 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2121617 0.87 NOTUM (0.45) NOTUMARHTR2CHTR2B
SCHEMBL23491420 0.81 UCHL1 (0.37) KDM1AALDH1A1
SCHEMBL2824001 0.76 AKR1C3 (0.38) NOTUMDRD4
SCHEMBL3664397 0.75 NOTUM (0.36) NOTUMARHTR2CHTR2BDRD4
SCHEMBL2121976 0.75 NOTUM (0.36) NOTUMARSSTR4
SCHEMBL3660735 0.74
SCHEMBL2122061 0.70 UCHL1 (0.42) NOTUMDRD4ALDH1A1
SCHEMBL2123452 0.69 NOTUM (0.43) NOTUMARCCR2ADRA1AALDH1A1
SCHEMBL20300222 0.69 ESR2 (0.41) DRD4
SCHEMBL2121418 0.68 CAMK2A (0.40) CCR2

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-2222670-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080729-A1 OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed