SCHEMBL476712

SCHEMBL476712

CCOC(=O)n1nnc2c(Br)cccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.54
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL9736525 0.85 MEN1 (0.43) KDM4ENPSR1FAAHMGLLELANE
SCHEMBL2115731 0.76 GAA (0.58) KDM4ENPSR1
SCHEMBL2301149 0.73 ELANE (0.39) KDM4ENPSR1RXFP1ELANE
SCHEMBL2302376 0.72 ELANE (0.39) KDM4ENPSR1RXFP1ELANE
SCHEMBL7344853 0.70 F12 (0.34) GRM2
SCHEMBL31602785 0.69 ALDH1A1 (0.46) KDM4ERXFP1
SCHEMBL23071596 0.68 KDM4E (0.42) KDM4ENPSR1RXFP1ELANE
SCHEMBL9987666 0.68 ELANE (0.55) ELANE
SCHEMBL9994966 0.68 FAAH (0.40) GRM2KDM4EFAAH
SCHEMBL19911637 0.68 GRM2 (0.62) GRM2

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-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed