SCHEMBL11448419

SCHEMBL11448419

O=C(c1cc(O)ccc1NCCN1CCN(c2ccccc2)CC1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.54
▸ DRD2 P14416 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ DRD4 P21917 1/20 0.42

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
SCHEMBL11448061 0.92 HTR7 (0.54) HTR7DRD2HTR2ACYP2C9CYP2C19
SCHEMBL11454261 0.92 HTR7 (0.56) HTR7DRD2HTR2AKMT2AMEN1
SCHEMBL11447014 0.91 HTR7 (0.55) HTR7DRD2HTR2AKMT2AMEN1
SCHEMBL11446934 0.89 HTR7 (0.45) HTR7DRD2HTR2ACYP2C9CYP2C19
SCHEMBL11446739 0.88 DRD4 (0.53) DRD2HTR2ACYP2C9CYP2C19KMT2A
SCHEMBL11608542 0.88 KMT2A (0.52) HTR7DRD2HTR2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11456528 0.87 KMT2A (0.51) HTR7DRD2HTR2ACYP2C9CYP2C19
SCHEMBL11466045 0.86 HTR7 (0.61) HTR7DRD2KMT2ADRD3HTR1A
SCHEMBL11457535 0.84 HTR7 (0.59) HTR7DRD2KMT2ADRD3HTR1A
SCHEMBL11446655 0.83 HTR7 (0.53) HTR7DRD2HTR2ACYP2C9CYP2C19

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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