SCHEMBL7912865

SCHEMBL7912865

O=C(NCC1=CC=CCC1)C1(CC2=CCCC=C2)CCNCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.30

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
SCHEMBL21976456 0.65
SCHEMBL13773880 0.65 HSD17B10 (0.40)
SCHEMBL13594207 0.64 NPSR1 (0.37)
SCHEMBL22549700 0.62 MTNR1A (0.36)
SCHEMBL15077385 0.61
SCHEMBL2172656 0.61 ATM (0.57) ATM
SCHEMBL14397954 0.59
SCHEMBL19142461 0.58
SCHEMBL16270833 0.58
SCHEMBL7917175 0.57 ATM (0.53) ATM

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
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed