SCHEMBL11268155

SCHEMBL11268155

CCN(CC)CCNC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)c2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KCNH2 Q12809 3/20 0.43
NFKB1 P19838 1/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
BLM P54132 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 4/20 0.38
ADRA2A P08913 3/20 0.38
CYP2D6 P10635 3/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2B P41595 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11268161 0.80 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2CYP3A4HPGD
SCHEMBL11260743 0.78 MAPT (0.41) ALDH1A1POLBSMN1; SMN2HPGDKDM4E
SCHEMBL7220039 0.68 ALDH1A1 (0.43) ALDH1A1KCNH2SMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL11267099 0.67 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2BLMCYP3A4
SCHEMBL8525974 0.67 PRMT5 (0.51) ALDH1A1KCNH2SMN1; SMN2BLMPRMT5
Hydrochloric Acid SCHEMBL29375599 0.67 RAB9A (0.56) ALDH1A1KCNH2BLMPRMT5WDR77
SCHEMBL10530299 0.67 ALDH1A1 (0.50) ALDH1A1KCNH2NFKB1POLBSMN1; SMN2
SCHEMBL29352699 0.66 PRMT5 (0.53) ALDH1A1KCNH2BLMPRMT5WDR77
SCHEMBL15324928 0.66 PDGFRB (0.43) ALDH1A1POLBSMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL7405566 0.65 PRMT5 (0.54) ALDH1A1KCNH2NFKB1POLBSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed