SCHEMBL11454722

SCHEMBL11454722

NC(=O)c1ccccc1NCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.74
▸ HTR1A P08908 4/20 0.74
▸ DRD2 P14416 4/20 0.63
▸ HTR2A P28223 3/20 0.63
▸ HTR6 P50406 2/20 0.63
▸ CACNA1G O43497 2/20 0.60
▸ TP53 P04637 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ DRD4 P21917 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.54
▸ ADRA1A P35348 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53

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
SCHEMBL11456938 0.94 HTR1A (0.71) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11446577 0.90 HTR1A (0.61) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11446583 0.89 HTR7 (0.63) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11447175 0.89 HTR7 (0.59) HTR7HTR1ADRD2CACNA1GTP53
SCHEMBL11446686 0.89 HTR7 (0.64) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11454884 0.88 HTR1A (0.59) HTR7HTR1ADRD2HTR2AKCNH2
SCHEMBL11454249 0.88 HTR1A (0.70) HTR7HTR1AHTR2ACACNA1GKCNH2
SCHEMBL11447592 0.87 HTR7 (0.60) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11447942 0.87 HTR7 (0.60) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11465485 0.84 HTR7 (0.54) HTR7HTR1ADRD2HTR2AHTR6

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 2 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
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