SCHEMBL8608010

SCHEMBL8608010

O=C(O)c1cn2cc(CCCc3nnn[nH]3)c(Br)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL8608439 0.93 PTGS1 (0.34) RXFP1PTGS1PTGS2
SCHEMBL8609489 0.82
SCHEMBL8607312 0.81 RXFP1 (0.32) RXFP1PTGS1PTGS2
SCHEMBL8607472 0.80
SCHEMBL8606509 0.79 PTGS1 (0.38) RXFP1PTGS1PTGS2
SCHEMBL9753944 0.79 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL9753472 0.78 RXFP1 (0.33) RXFP1PTGS1PTGS2
SCHEMBL8604762 0.78 RXFP1 (0.32) RXFP1
SCHEMBL8605302 0.77 PTGS1 (0.39) RXFP1PTGS1PTGS2
SCHEMBL8607381 0.76 PTGS1 (0.40) RXFP1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed