SCHEMBL11455014

SCHEMBL11455014

COC(=O)c1cccc(OC)c1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
GFER P55789 1/20 0.65
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
DRD3 P35462 3/20 0.54
HTR7 P34969 2/20 0.53
TP53 P04637 2/20 0.53
DRD4 P21917 2/20 0.52
DRD2 P14416 2/20 0.52
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL11454837 0.92 POLB (0.66) POLBGFERDRD3HTR7TP53
SCHEMBL11465306 0.90 POLB (0.64) POLBGFERDRD3HTR7TP53
SCHEMBL11457416 0.89 POLB (0.66) POLBGFERDRD3HTR7TP53
SCHEMBL11447825 0.89 ALDH1A1 (0.56) POLBGFERALDH1A1LMNADRD3
SCHEMBL11446046 0.89 POLB (0.61) POLBGFERDRD3HTR7TP53
SCHEMBL11447733 0.88 POLB (0.60) POLBGFERALDH1A1DRD3HTR7
SCHEMBL11465797 0.87 ALDH1A1 (0.66) POLBGFERALDH1A1LMNADRD3
SCHEMBL11457540 0.87 POLB (0.59) POLBGFERALDH1A1DRD3TP53
SCHEMBL11456668 0.86 POLB (0.58) POLBGFERALDH1A1DRD3TP53
SCHEMBL11454798 0.84 HTR1A (0.62) POLBGFERLMNAHTR7

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