SCHEMBL11465177

SCHEMBL11465177

O=C(c1ccc(O)cc1NCCN1CCN(c2ccccc2)CC1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.56
▸ DRD2 P14416 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ DRD3 P35462 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43

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
SCHEMBL11446886 0.99 HTR7 (0.55) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11448061 0.92 HTR7 (0.54) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11454261 0.92 HTR7 (0.56) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11447014 0.91 HTR7 (0.55) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11456608 0.88 HTR7 (0.47) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11465707 0.88 ALDH1A1 (0.55) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11447319 0.88 HTR7 (0.61) HTR7DRD2KMT2ADRD3MAPT
SCHEMBL11457353 0.88 HTR7 (0.46) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11447021 0.87 ALDH1A1 (0.53) HTR7DRD2HTR2AALDH1A1KMT2A
SCHEMBL11447094 0.86 GFER (0.56) HTR7DRD2HTR2AALDH1A1KMT2A

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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