SCHEMBL18901459

SCHEMBL18901459

CN/C(=N\O)c1cc(F)c(CN(C)CC(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
S1PR1 P21453 1/20 0.30

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
SCHEMBL410100 0.84 RIPK1 (0.34) RIPK1MTNR1AMTNR1B
SCHEMBL410099 0.84 RIPK1 (0.34) RIPK1MTNR1AMTNR1B
SCHEMBL10170481 0.84 RIPK1 (0.34) RIPK1MTNR1AMTNR1B
SCHEMBL405431 0.75 ABCB1 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL18793519 0.72 ERN1 (0.33) RIPK1MTNR1AMTNR1BS1PR1
SCHEMBL410482 0.72 HDAC6 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL410481 0.72 HDAC6 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL10170374 0.72 HDAC6 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL9968914 0.70 MTNR1A (0.36) RIPK1MTNR1AMTNR1B
SCHEMBL2772718 0.70 MTNR1A (0.36) RIPK1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed