SCHEMBL11446897

SCHEMBL11446897

COc1ccc(C(=O)N2CCOCC2)c(NCCN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.54
▸ DRD4 P21917 2/20 0.53
▸ DRD2 P14416 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ APP P05067 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ DRD3 P35462 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR1A P08908 1/20 0.46

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
SCHEMBL11446739 0.93 DRD4 (0.53) GFERDRD4DRD2HTR2ALMNA
SCHEMBL11447094 0.92 GFER (0.56) GFERDRD4DRD2HTR2APOLB
SCHEMBL11447939 0.91 GFER (0.55) GFERDRD4DRD2HTR2APOLB
SCHEMBL11447565 0.87 GFER (0.60) GFERDRD4DRD2POLBMAPT
SCHEMBL11447731 0.87 GFER (0.60) GFERDRD4DRD2POLBMAPT
SCHEMBL11448061 0.86 HTR7 (0.54) DRD2HTR2ALMNAMAPTTP53
SCHEMBL11447759 0.85 HTR7 (0.45) DRD2HTR2AMAPTTP53ALDH1A1
SCHEMBL11446001 0.85 GFER (0.61) GFERDRD4DRD2HTR2APOLB
SCHEMBL11608542 0.85 KMT2A (0.52) GFERDRD2HTR2ALMNAPOLB
SCHEMBL11465892 0.85 DRD4 (0.55) GFERDRD4DRD2HTR2APOLB

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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