SCHEMBL11447565

SCHEMBL11447565

COc1ccc(C(=O)O)c(NCCN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.60
▸ DRD4 P21917 3/20 0.60
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ HTR1A P08908 1/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ DRD3 P35462 3/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HTR6 P50406 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ APP P05067 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
SCHEMBL11447731 0.94 GFER (0.60) GFERDRD4MAPTTP53POLB
SCHEMBL11446001 0.92 GFER (0.61) GFERDRD4MAPTTP53POLB
SCHEMBL11465416 0.91 DRD4 (0.60) GFERDRD4MAPTTP53POLB
SCHEMBL11454278 0.91 DRD4 (0.59) GFERDRD4MAPTTP53POLB
SCHEMBL11456872 0.90 GFER (0.56) GFERDRD4MAPTTP53POLB
SCHEMBL11447094 0.89 GFER (0.56) GFERDRD4MAPTTP53POLB
SCHEMBL11447939 0.88 GFER (0.55) GFERDRD4MAPTTP53POLB
SCHEMBL11446897 0.87 GFER (0.54) GFERDRD4MAPTTP53POLB
SCHEMBL11446907 0.86 GFER (0.60) GFERDRD4MAPTTP53HTR1A
SCHEMBL11457057 0.86 DRD4 (0.59) GFERDRD4MAPTTP53POLB

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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