SCHEMBL11447576

SCHEMBL11447576

O=C(Nc1ccccc1)c1ccccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.55
▸ HTR1A P08908 2/20 0.54
▸ DRD2 P14416 2/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MT-CO2 P00403 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 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
SCHEMBL11457434 0.87 POLB (0.56) HTR7HTR1ADRD2KMT2ASMN1; SMN2
SCHEMBL11456652 0.86 KMT2A (0.56) HTR7HTR1ADRD2KMT2ASMN1; SMN2
SCHEMBL11448262 0.84 HTR1A (0.58) HTR7HTR1ADRD2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11500448 0.83 HTR1A (0.57) HTR7HTR1ADRD2KMT2ASMN1; SMN2
SCHEMBL11447935 0.83 POLB (0.60) HTR7DRD2KMT2ASMN1; SMN2TSHR
Phosphoric Acid SCHEMBL11448388 0.82 HTR1A (0.54) HTR7HTR1AKMT2ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11446653 0.82 POLB (0.61) HTR7DRD2KMT2ASMN1; SMN2TSHR
SCHEMBL11465707 0.81 ALDH1A1 (0.55) HTR7HTR1ADRD2KMT2ASMN1; SMN2
SCHEMBL11456795 0.81 POLB (0.52) HTR7DRD2KMT2ASMN1; SMN2TSHR
SCHEMBL11447021 0.80 ALDH1A1 (0.53) HTR7HTR1ADRD2KMT2ASMN1; SMN2

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 2 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-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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