SCHEMBL9169741

SCHEMBL9169741

CC(C)(C)CNc1nccc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.52
HRH3 Q9Y5N1 13/20 0.52
NUDT1 P36639 1/20 0.51
CHRNA7 P36544 1/20 0.42
MAPK8 P45983 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL14029983 0.80 HRH4 (0.54) HRH4HRH3NUDT1CHRNA7
SCHEMBL1519442 0.79 LMNA (0.47) HRH4
SCHEMBL16844971 0.79 HRH4 (0.52) HRH4HRH3NUDT1CHRNA7
SCHEMBL9086602 0.77 IDH1 (0.42) HRH4HRH3NUDT1MAPK8
SCHEMBL16139311 0.76 DNM2 (0.46) HRH4MAPK8
SCHEMBL14004971 0.76 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7
SCHEMBL12933710 0.76 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7
SCHEMBL12932877 0.76 HRH4 (0.50) HRH4HRH3NUDT1PLK1
SCHEMBL9169811 0.76 SMN1; SMN2 (0.47) PLK1
SCHEMBL7369640 0.76 STK17A (0.35) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644885-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYESZETI GYAR RT. (HU) 1995-03-29 EP disclosed