SCHEMBL14229003

SCHEMBL14229003

CCCC(C)N(C(=O)C(C)(C)CC)c1ccc(F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 17/20 0.41
S1PR1 P21453 1/20 0.33

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
SCHEMBL14229081 0.92 RIPK1 (0.39) RIPK1
SCHEMBL14229303 0.90 RIPK1 (0.43) RIPK1
SCHEMBL14229011 0.90 RIPK1 (0.43) RIPK1
SCHEMBL14201161 0.88 RIPK1 (0.32) RIPK1S1PR1
SCHEMBL14229311 0.88 RIPK1 (0.47) RIPK1
SCHEMBL14200779 0.85 PSEN1 (0.32) RIPK1
SCHEMBL14229009 0.85 RIPK1 (0.41) RIPK1
SCHEMBL14230199 0.85 RIPK1 (0.45) RIPK1
SCHEMBL14201160 0.83 S1PR1 (0.33) S1PR1
SCHEMBL14229510 0.81 MEN1 (0.34) S1PR1

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed