SCHEMBL16100214

SCHEMBL16100214

CCc1cc2n(n1)CCCN(C(=O)CBr)C2

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 18/20 0.36

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
SCHEMBL16100677 0.79 NPC1 (0.35) —
SCHEMBL30793646 0.71 GRM5 (0.30) GRM5
SCHEMBL13455921 0.70 — —
SCHEMBL12285743 0.69 HDAC6 (0.52) GRM5
SCHEMBL6104496 0.69 — —
SCHEMBL24536068 0.68 NR1H2 (0.41) GRM5
SCHEMBL30793197 0.68 NR1H2 (0.41) GRM5
SCHEMBL30793429 0.68 MEN1 (0.42) GRM5
SCHEMBL18183945 0.67 GRM5 (0.33) GRM5
SCHEMBL30793320 0.67 NR1H2 (0.40) GRM5

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-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
Send feedback