SCHEMBL11454733

SCHEMBL11454733

COc1ccc(NC(C)CN2CCN(c3ccccc3)CC2)c(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 4/20 0.53
▸ ADRA1A P35348 4/20 0.53
▸ ADRA1B P35368 4/20 0.53
▸ ADRB1 P08588 4/20 0.50
▸ ADRB2 P07550 3/20 0.50
▸ ADRB3 P13945 3/20 0.50
▸ HTR1A P08908 5/20 0.49
▸ GFER P55789 2/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2B P41595 1/20 0.46

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
SCHEMBL11446709 0.92 GFER (0.54) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11465422 0.91 GFER (0.50) GFERMEN1KMT2AMAPTMAPK1
SCHEMBL11446875 0.89 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11446383 0.88 HTR1A (0.59) ADRA1DADRA1AADRA1BHTR1AGFER
SCHEMBL11446294 0.88 ADRB1 (0.54) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11446887 0.87 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11448099 0.87 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11447167 0.86 ADRA1D (0.48) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11446599 0.85 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB1ADRB2
SCHEMBL11447284 0.85 KMT2A (0.53) GFERMEN1KMT2AMAPTMAPK1

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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