SCHEMBL10409142

SCHEMBL10409142

CCCN(CCC)C(=O)Cc1ccc(O)c2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSPO P30536 1/20 0.36

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
SCHEMBL10410576 0.81 SMN1; SMN2 (0.41) POLBMAPTKMT2ANPSR1
SCHEMBL10821263 0.79 HSP90AA1 (0.38) TDP1MAPTGAAHTTKMT2A
SCHEMBL9688953 0.78 AKR1B1 (0.42) POLBAPEX1TDP1MAPTGAA
SCHEMBL9689265 0.77 HTR1A (0.48)
SCHEMBL9688738 0.72 HTR1A (0.43)
SCHEMBL9688885 0.67 TAAR1 (0.39) APEX1TDP1MAPTKMT2A
SCHEMBL28176890 0.66 METAP2 (0.36) MAPT
SCHEMBL9596859 0.65 MEN1 (0.68) MAPTKMT2ANPSR1
SCHEMBL9687997 0.65 OPRK1 (0.45) POLBMAPTHTT
SCHEMBL5164427 0.62 POLB (0.46) POLBAPEX1TDP1MAPTTSPO

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
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed