SCHEMBL22047271

SCHEMBL22047271

CCCCCC(=O)NCCCCCCNC

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.71
FAAH O00519 4/20 0.68
NAAA Q02083 1/20 0.67
DNM1 Q05193 2/20 0.64
EPHX2 P34913 3/20 0.61
LPAR1 Q92633 1/20 0.60
SLC6A5 Q9Y345 2/20 0.59
EPHX1 P07099 4/20 0.58

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
SCHEMBL20996896 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL27360833 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL31315579 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL25318260 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL8154588 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL24812541 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL26003367 1.00 CASP2 (0.71) CASP2FAAHNAAADNM1EPHX2
SCHEMBL19249062 0.98 CASP2 (0.68) CASP2FAAHNAAADNM1EPHX2
SCHEMBL19248862 0.98 CASP2 (0.68) CASP2FAAHNAAADNM1EPHX2
SCHEMBL114457 0.96 FAAH (0.68) CASP2FAAHNAAADNM1EPHX2

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-3666792-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-17 EP disclosed
EP-3660040-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-03 EP disclosed
EP-3660041-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-03 EP disclosed