SCHEMBL11456938

SCHEMBL11456938

NC(=O)c1ccccc1NCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.71
▸ HTR7 P34969 4/20 0.71
▸ DRD2 P14416 1/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ HTR6 P50406 1/20 0.59
▸ MAPT P10636 3/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CACNA1G O43497 2/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ TP53 P04637 1/20 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
SCHEMBL11454722 0.94 HTR7 (0.74) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL11465556 0.90 HTR1A (0.58) HTR1AHTR7DRD2HTR2AHTR6
Methane SCHEMBL11605143 0.89 HTR1A (0.57) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL11456939 0.89 HTR1A (0.59) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL11456961 0.89 MAPT (0.56) HTR1AHTR7DRD2MAPTKMT2A
SCHEMBL11448262 0.88 HTR1A (0.58) HTR1AHTR7DRD2KMT2AMEN1
SCHEMBL11447580 0.88 HTR1A (0.56) HTR1AHTR7DRD2HTR2AKMT2A
Hydrochloric Acid SCHEMBL11500448 0.87 HTR1A (0.57) HTR1AHTR7DRD2KMT2AMEN1
SCHEMBL11446706 0.87 HTR1A (0.57) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL11446236 0.87 CACNA1G (0.55) HTR1AHTR7DRD2HTR2AHTR6

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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