SCHEMBL8020092

SCHEMBL8020092

CCc1ccc(OC(C)CN2CCN(Cc3ccccc3)CC2)c(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.46
ABCB1 P08183 1/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HDAC4 P56524 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC1 Q13547 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8031475 0.84 APOBEC3A (0.56) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8035768 0.81 SIGMAR1 (0.57) ATMKDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL8020078 0.81 LTA4H (0.65) ATMKMT2AMEN1KDM4EALDH1A1
SCHEMBL8029920 0.76 LTA4H (0.65) ATMKMT2AMEN1KDM4ELTA4H
SCHEMBL8033271 0.76 KDM4E (0.48) ATMKMT2AMEN1KDM4EALDH1A1
SCHEMBL8035755 0.76 KDM4E (0.45) ATMKMT2AMEN1KDM4EALDH1A1
SCHEMBL8887598 0.74 F2 (0.42) KDM4EALDH1A1SMN1; SMN2LTA4HPPARG
SCHEMBL8020087 0.73 MAPK1 (0.60) ATMKMT2AMEN1KDM4EALDH1A1
SCHEMBL8244422 0.72 SIGMAR1 (0.75) ATMKMT2AMEN1KDM4EALDH1A1
SCHEMBL8888183 0.72 LTA4H (0.41) KMT2AMEN1KDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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