SCHEMBL11265571

SCHEMBL11265571

CCC(NC(=O)c1ccc(N)c2c1OCCO2)c1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.38
KCNK3 O14649 11/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KCNA5 P22460 4/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31

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
Hydrochloric Acid SCHEMBL11259264 0.99 HTR4 (0.37) HTR4KCNK3KDM4EALDH1A1LMNA
SCHEMBL11264360 0.85 KDM4E (0.51) KCNK3KDM4EALDH1A1LMNAHSD17B10
SCHEMBL11268139 0.84 KCNA5 (0.34) HTR4KCNK3KDM4EALDH1A1LMNA
SCHEMBL11356296 0.83 HTR4 (0.45) HTR4KDM4EALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL11265733 0.83 HTR4 (0.44) HTR4KCNK3
Oxalic Acid SCHEMBL11257317 0.83 KDM4E (0.48) KCNK3KDM4EALDH1A1LMNAHSD17B10
SCHEMBL11265610 0.80 HDAC3 (0.43) HTR4KCNK3KDM4EALDH1A1LMNA
Water SCHEMBL11269892 0.79 HDAC3 (0.42) HTR4KCNK3KDM4EALDH1A1LMNA
Phosphoric Acid SCHEMBL11259901 0.77 HDAC3 (0.41) HTR4KCNK3KDM4EALDH1A1LMNA
SCHEMBL11265096 0.77 KCNK3 (0.39) KCNK3KDM4EALDH1A1LMNAHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed
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