SCHEMBL11269666

SCHEMBL11269666

CN1CCN(C(=O)c2cc(N)cc3c2OCCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.42
HSP90AA1 P07900 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HRH4 Q9H3N8 4/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK1 O14757 1/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL6368985 0.95 HPGD (0.46) HPGDALDH1A1SMN1; SMN2LMNAHSP90AA1
SCHEMBL7260293 0.90 L3MBTL1 (0.43) HPGDALDH1A1SMN1; SMN2LMNAHSP90AA1
SCHEMBL6368587 0.83 HPGD (0.55) HPGDALDH1A1SMN1; SMN2HSP90AA1TSHR
SCHEMBL6368753 0.82 HPGD (0.57) HPGDALDH1A1SMN1; SMN2LMNAHSP90AA1
SCHEMBL6369872 0.81 HPGD (0.46) HPGDALDH1A1SMN1; SMN2HSP90AA1TP53
SCHEMBL11270948 0.80 L3MBTL1 (0.56) HPGDALDH1A1SMN1; SMN2LMNAHRH4
SCHEMBL6369845 0.79 HPGD (0.44) HPGDALDH1A1SMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL11271060 0.79 L3MBTL1 (0.55) HPGDALDH1A1SMN1; SMN2LMNAHRH4
SCHEMBL21938862 0.78 HPGD (0.53) HPGDALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6374998 0.78 HRH4 (0.38) HPGDALDH1A1LMNAHSP90AA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 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