SCHEMBL11447378

SCHEMBL11447378

COC(=O)c1c(O)cccc1NC(C)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11447451 0.88 MAPT (0.50) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11454835 0.88 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11446758 0.88 ADRA1D (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11446665 0.84 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11446664 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11447151 0.82 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11465437 0.81 ADRA1D (0.52) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL11446578 0.81 HTR7 (0.54) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11457094 0.80 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11454382 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1

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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