SCHEMBL11268161

SCHEMBL11268161

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
HTT P42858 2/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTR4 Q13639 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL11268155 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL11260743 0.78 MAPT (0.41) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
Hydrochloric Acid SCHEMBL11267103 0.67 HTR4 (0.45) KDM4EHTR4
SCHEMBL8527632 0.67 HTT (0.42) ALDH1A1SMN1; SMN2HPGDPOLBHTT
SCHEMBL10530296 0.67 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HPGDPOLBMAPT
SCHEMBL15324928 0.66 PDGFRB (0.43) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL15322464 0.63 PDGFRB (0.43) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL11399774 0.62 HTT (0.40) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
Hydrochloric Acid SCHEMBL10724928 0.62 HTT (0.44) ALDH1A1LMNAPOLBHTTKDM4E
SCHEMBL28836799 0.60 GPR35 (0.55) ALDH1A1SMN1; SMN2LMNAHPGDPOLB

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