SCHEMBL11446750

SCHEMBL11446750

CNC(=O)c1cc(N)ccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ DRD3 P35462 3/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DRD2 P14416 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11446373 0.92 POLB (0.47) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11447087 0.89 HTR7 (0.51) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11446743 0.88 HTR7 (0.57) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11447099 0.88 HTR7 (0.52) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11448339 0.87 HTR6 (0.54) POLBGFERHTR7DRD3DRD4
Hydrochloric Acid SCHEMBL11447560 0.87 HTR7 (0.51) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11457434 0.87 POLB (0.56) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11446242 0.86 HTR7 (0.47) POLBGFERHSD17B10HTR7HTR1A
SCHEMBL11465661 0.85 DRD4 (0.59) POLBGFERDRD3DRD4MAPT
SCHEMBL11446759 0.84 HTR7 (0.47) POLBGFERHSD17B10HTR7HTR1A

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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