SCHEMBL11446236

SCHEMBL11446236

NC(=O)c1cc(Cl)ccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 3/20 0.55
▸ POLB P06746 1/20 0.54
▸ HTR1A P08908 7/20 0.54
▸ HTR7 P34969 6/20 0.54
▸ PKM P14618 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 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
SCHEMBL11447942 0.94 HTR7 (0.60) CACNA1GPOLBHTR1AHTR7PKM
SCHEMBL11446706 0.91 HTR1A (0.57) CACNA1GPOLBHTR1AHTR7PKM
SCHEMBL11447099 0.88 HTR7 (0.52) CACNA1GPOLBHTR1AHTR7MAPT
SCHEMBL11457535 0.88 HTR7 (0.59) HTR1AHTR7MAPTKMT2ADRD2
Hydrochloric Acid SCHEMBL11447560 0.87 HTR7 (0.51) CACNA1GPOLBHTR1AHTR7MAPT
SCHEMBL11456938 0.87 HTR1A (0.71) CACNA1GPOLBHTR1AHTR7PKM
SCHEMBL11454634 0.87 HSD17B10 (0.54) POLBHTR1AHTR7KMT2ADRD2
SCHEMBL11456961 0.86 MAPT (0.56) HTR1AHTR7MAPTKMT2ADRD2
SCHEMBL11448262 0.86 HTR1A (0.58) POLBHTR1AHTR7KMT2ADRD2
Hydrochloric Acid SCHEMBL11500448 0.85 HTR1A (0.57) POLBHTR1AHTR7KMT2ADRD2

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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