SCHEMBL8007841

SCHEMBL8007841

CCc1ccc2cccc(CC(O)N(CC)CC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MTNR1A P48039 10/20 0.35
MTNR1B P49286 10/20 0.35
PDE10A Q9Y233 7/20 0.33
PDE4D Q08499 1/20 0.33
CCR1 P32246 1/20 0.32

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
SCHEMBL8003719 0.84 METAP2 (0.45) PARP1MTNR1AMTNR1BCCR1
SCHEMBL7583585 0.80 PARP1 (0.43) PARP1MTNR1AMTNR1B
SCHEMBL7774860 0.77 KMT2A (0.38) MTNR1AMTNR1B
SCHEMBL7590773 0.76 KDM4E (0.41) PDE10A
SCHEMBL7588354 0.74 MTNR1A (0.39) MTNR1AMTNR1BPDE4D
SCHEMBL9204288 0.72 PARP1 (0.55) PARP1MTNR1AMTNR1BPDE10APDE4D
SCHEMBL7583319 0.72 PDE10A (0.43) PDE10A
SCHEMBL8406965 0.70 EED (0.37)
SCHEMBL8003234 0.69 PARP1 (0.46) PARP1PDE10APDE4DCCR1
SCHEMBL8003231 0.69 PARP1 (0.46) PARP1PDE10APDE4DCCR1

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-2000015617-A1 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-03-23 WO disclosed