SCHEMBL11447939

SCHEMBL11447939

COc1ccc(C(=O)N2CCCCC2)c(NCCN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.55
▸ DRD4 P21917 2/20 0.54
▸ DRD2 P14416 2/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 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
SCHEMBL11447094 0.99 GFER (0.56) GFERDRD4DRD2HTR2APOLB
SCHEMBL11456513 0.92 DRD4 (0.54) GFERDRD4DRD2HTR2APOLB
SCHEMBL11446897 0.91 GFER (0.54) GFERDRD4DRD2HTR2APOLB
SCHEMBL11465892 0.91 DRD4 (0.55) GFERDRD4DRD2HTR2APOLB
SCHEMBL11447565 0.88 GFER (0.60) GFERDRD4DRD2POLBMAPT
SCHEMBL11447731 0.88 GFER (0.60) GFERDRD4DRD2POLBMAPT
SCHEMBL11446001 0.86 GFER (0.61) GFERDRD4DRD2HTR2APOLB
SCHEMBL11446886 0.86 HTR7 (0.55) DRD2HTR2AMAPTKMT2ADRD3
SCHEMBL11457353 0.85 HTR7 (0.46) GFERDRD2HTR2APOLBMAPT
SCHEMBL11454278 0.85 DRD4 (0.59) GFERDRD4DRD2POLBMAPT

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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