SCHEMBL11454634

SCHEMBL11454634

Cc1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.54
▸ HTR7 P34969 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ DRD3 P35462 4/20 0.49
▸ DRD2 P14416 3/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL11465175 0.94 HTR7 (0.60) HSD17B10HTR7GFERHTR1ADRD3
SCHEMBL11446419 0.91 HSD17B10 (0.54) HSD17B10HTR7POLBGFERHTR1A
SCHEMBL11447099 0.88 HTR7 (0.52) HSD17B10HTR7POLBGFERHTR1A
SCHEMBL11457535 0.88 HTR7 (0.59) HTR7HTR1ADRD3DRD2ADRA1D
SCHEMBL11446236 0.87 CACNA1G (0.55) HTR7POLBHTR1ADRD2KMT2A
Hydrochloric Acid SCHEMBL11447560 0.87 HTR7 (0.51) HSD17B10HTR7POLBGFERHTR1A
SCHEMBL11465074 0.86 HTR1A (0.52) HTR7POLBGFERHTR1ADRD3
SCHEMBL11455011 0.86 DRD4 (0.58) HTR7POLBGFERHTR1ADRD3
SCHEMBL11448262 0.86 HTR1A (0.58) HTR7POLBGFERHTR1ADRD3
SCHEMBL11447580 0.86 HTR1A (0.56) HSD17B10HTR7HTR1ADRD3DRD2

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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