SCHEMBL11457057

SCHEMBL11457057

COC(=O)c1cc(OC)ccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.59
▸ GFER P55789 2/20 0.57
▸ HTR7 P34969 1/20 0.55
▸ HTR6 P50406 2/20 0.54
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 1/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTR1A P08908 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL11465416 0.93 DRD4 (0.60) DRD4GFERHTR7MAPTTP53
SCHEMBL11447731 0.93 GFER (0.60) DRD4GFERHTR7HTR6MAPT
SCHEMBL11455011 0.91 DRD4 (0.58) DRD4GFERHTR7MAPTTP53
SCHEMBL11500563 0.90 HTR7 (0.57) DRD4GFERHTR7HTR6MAPT
SCHEMBL11465661 0.90 DRD4 (0.59) DRD4GFERMAPTTP53POLB
SCHEMBL11446172 0.89 DRD4 (0.56) DRD4GFERHTR7MAPTTP53
SCHEMBL11465892 0.88 DRD4 (0.55) DRD4GFERHTR7MAPTTP53
SCHEMBL11447935 0.88 POLB (0.60) DRD4GFERHTR7HTR6MAPT
SCHEMBL11448339 0.87 HTR6 (0.54) DRD4GFERHTR7HTR6MAPT
SCHEMBL11456513 0.87 DRD4 (0.54) DRD4GFERHTR7MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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