SCHEMBL11447052

SCHEMBL11447052

COc1ccc(N2CCN(CCNc3ccccc3C(N)=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.56
▸ HTR1A P08908 3/20 0.55
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ NR2E3 Q9Y5X4 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ DRD2 P14416 2/20 0.52

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
SCHEMBL11498175 0.94 GFER (0.62) GFERHTR1AHTR2ADRD4KDM4E
SCHEMBL11446702 0.89 HTR1A (0.67) HTR1AMAPTHTR2ADRD4DRD2
SCHEMBL11465074 0.88 HTR1A (0.52) GFERHTR1AMAPTKMT2AMEN1
SCHEMBL11448262 0.87 HTR1A (0.58) GFERHTR1AKMT2AMEN1SMN1; SMN2
SCHEMBL11455011 0.87 DRD4 (0.58) GFERHTR1AMAPTHTR2ADRD4
SCHEMBL11446001 0.87 GFER (0.61) GFERHTR1AMAPTKMT2AMEN1
SCHEMBL11447026 0.86 HTR7 (0.49) GFERHTR1AMAPTKMT2AMEN1
SCHEMBL11456749 0.86 HTR7 (0.52) GFERHTR1AMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL11500448 0.86 HTR1A (0.57) GFERHTR1AKMT2AMEN1SMN1; SMN2
SCHEMBL11456961 0.85 MAPT (0.56) HTR1AMAPTKMT2AMEN1DRD4

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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