SCHEMBL8146012

SCHEMBL8146012

CCC(CCOC)n1cc(-c2ccc(OC)cc2Cl)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CRHR1 P34998 10/20 0.38
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL8145464 0.88 HSP90AA1 (0.40) HSP90AA1HSP90AB1CRHR1
SCHEMBL8152523 0.82 CRHR1 (0.47) CRHR1
SCHEMBL8147374 0.81 CRHR1 (0.32) CRHR1
SCHEMBL8152412 0.79 CRHR1 (0.30) CRHR1
SCHEMBL8146663 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1CRHR1
SCHEMBL8148157 0.78 CRHR1 (0.36) CRHR1
SCHEMBL8146081 0.78 CRHR1 (0.37) CRHR1
SCHEMBL8152537 0.77 KMT2A (0.39) CRHR1
SCHEMBL8154384 0.76 CRHR1 (0.36) CRHR1
SCHEMBL8139842 0.76 BACE1 (0.38) CRHR1

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-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO disclosed