SCHEMBL8020121

SCHEMBL8020121

CC(C)(CN1CCN(Cc2ccccc2)CC1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.56
MC4R P32245 1/20 0.53
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DRD4 P21917 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.46
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8029636 0.91 SIGMAR1 (0.59) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL8033351 0.90 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1KDM4EKMT2A
SCHEMBL8035713 0.89 MAPK1 (0.57) SIGMAR1LMNAPOLBALDH1A1KDM4E
SCHEMBL8033296 0.87 SIGMAR1 (0.52) SIGMAR1MC4RPOLBALDH1A1KDM4E
SCHEMBL8033218 0.81 SIGMAR1 (0.49) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL18426823 0.80 SIGMAR1 (0.64) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL13036529 0.80 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL8029632 0.78 SIGMAR1 (0.56) SIGMAR1MC4RLMNAALDH1A1KDM4E
SCHEMBL572494 0.77 SIGMAR1 (0.64) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL8020083 0.76 ALDH1A1 (0.63) LMNAALDH1A1KDM4EKMT2AMEN1

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