SCHEMBL11457353

SCHEMBL11457353

Nc1ccc(C(=O)N2CCCCC2)c(NCCN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL11456608 0.99 HTR7 (0.47) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11446396 0.92 HTR7 (0.46) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11447759 0.91 HTR7 (0.45) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11446759 0.91 HTR7 (0.47) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11446886 0.89 HTR7 (0.55) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11465177 0.88 HTR7 (0.56) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11447021 0.87 ALDH1A1 (0.53) HTR7DRD2HTR2AKMT2AALDH1A1
SCHEMBL11446416 0.87 HTR7 (0.51) HTR7DRD2KMT2AMEN1DRD3
SCHEMBL11457088 0.86 HTR7 (0.52) HTR7DRD2KMT2AALDH1A1MEN1
SCHEMBL11465707 0.86 ALDH1A1 (0.55) HTR7DRD2HTR2AKMT2AALDH1A1

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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