SCHEMBL11447731

SCHEMBL11447731

COC(=O)c1ccc(OC)cc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.60
▸ DRD4 P21917 2/20 0.60
▸ HTR6 P50406 1/20 0.59
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ MAPT P10636 4/20 0.54
▸ TP53 P04637 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ HTR1A P08908 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ DRD3 P35462 3/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL11447565 0.94 GFER (0.60) GFERDRD4HTR6KMT2AMEN1
SCHEMBL11457057 0.93 DRD4 (0.59) GFERDRD4HTR6KMT2AMEN1
SCHEMBL11446001 0.92 GFER (0.61) GFERDRD4KMT2AMEN1HTR7
SCHEMBL11454278 0.91 DRD4 (0.59) GFERDRD4KMT2AMEN1MAPT
SCHEMBL11456872 0.90 GFER (0.56) GFERDRD4HTR6KMT2AMEN1
SCHEMBL11447094 0.89 GFER (0.56) GFERDRD4HTR6KMT2AMEN1
SCHEMBL11447939 0.88 GFER (0.55) GFERDRD4HTR6KMT2AMEN1
SCHEMBL11465720 0.88 HTR6 (0.60) GFERDRD4HTR6KMT2AMEN1
SCHEMBL11446897 0.87 GFER (0.54) GFERDRD4KMT2AMEN1ALDH1A1
SCHEMBL11465416 0.87 DRD4 (0.60) GFERDRD4KMT2AMEN1ALDH1A1

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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