SCHEMBL8029641

SCHEMBL8029641

CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
LMNA P02545 5/20 0.60
KDM4E B2RXH2 2/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 4/20 0.58
POLB P06746 1/20 0.56
FAAH O00519 3/20 0.54
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 3/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL8020083 0.92 ALDH1A1 (0.63) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL8033286 0.88 PKM (0.67) ALDH1A1LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL8031485 0.87 FAAH (0.61) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL8031456 0.85 PPARG (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2MAPK1
SCHEMBL10282306 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL8029595 0.84 LMNA (0.53) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL8031415 0.81 LMNA (0.53) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL15134823 0.80 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL24597769 0.80 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL10244960 0.79 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ETSHRSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372638-B Piperazine AMPK agonist and medical application thereof 中国药科大学 2023-09-22 CN disclosed
EP-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed