SCHEMBL11457535

SCHEMBL11457535

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.59
▸ HTR1A P08908 3/20 0.50
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ DRD4 P21917 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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
SCHEMBL11446043 0.94 HTR7 (0.62) HTR7HTR1ADRD2DRD3
SCHEMBL11446863 0.91 HTR7 (0.59) HTR7HTR1AADRB2ADRB1ADRB3
SCHEMBL11466045 0.91 HTR7 (0.61) HTR7HTR1AKMT2ASMN1; SMN2DRD4
SCHEMBL11447099 0.89 HTR7 (0.52) HTR7HTR1AKMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11447560 0.88 HTR7 (0.51) HTR7HTR1AADRB2ADRB1ADRB3
SCHEMBL11454634 0.88 HSD17B10 (0.54) HTR7HTR1AADRA1DADRA1AADRA1B
SCHEMBL11446236 0.88 CACNA1G (0.55) HTR7HTR1AKMT2ASMN1; SMN2MAPT
SCHEMBL11455011 0.87 DRD4 (0.58) HTR7HTR1AADRB1DRD4MAPT
SCHEMBL11448262 0.87 HTR1A (0.58) HTR7HTR1AKMT2ASMN1; SMN2DRD2
SCHEMBL11446743 0.87 HTR7 (0.57) HTR7HTR1ADRD4MAPTDRD2

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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