SCHEMBL8031485

SCHEMBL8031485

COc1ccc(CN2CCN(C(=O)C(C)(C)Oc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.61
SIGMAR1 Q99720 1/20 0.60
ALDH1A1 P00352 5/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53

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 0.91 ALDH1A1 (0.63) FAAHALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL8029641 0.87 ALDH1A1 (0.65) FAAHSIGMAR1ALDH1A1LMNAHTT
SCHEMBL8033286 0.85 PKM (0.67) FAAHALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL19002248 0.83 POLB (0.64) FAAHSIGMAR1ALDH1A1LMNAHTT
SCHEMBL8031415 0.81 LMNA (0.53) FAAHSIGMAR1ALDH1A1LMNAHTT
SCHEMBL6630360 0.79 SIGMAR1 (0.69) FAAHSIGMAR1ALDH1A1LMNAHTT
SCHEMBL8033351 0.79 SIGMAR1 (0.68) FAAHSIGMAR1ALDH1A1LMNAKDM4E
SCHEMBL27856022 0.78 POLB (0.70) FAAHSIGMAR1ALDH1A1LMNAHTT
SCHEMBL19049377 0.76 HRH3 (0.71) FAAHSIGMAR1ALDH1A1LMNAHTT
SCHEMBL8020023 0.76 POLB (0.61) FAAHSIGMAR1ALDH1A1LMNAHTT

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