SCHEMBL8020110

SCHEMBL8020110

O=C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
AIMP2 Q13155 1/20 0.56
KMT2A Q03164 5/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8035817 0.83 AIMP2 (0.54) SIGMAR1AIMP2KMT2ATSHRMEN1
SCHEMBL18171334 0.81 AIMP2 (0.81) HTR1ASIGMAR1AIMP2KMT2ATSHR
Hydrochloric Acid SCHEMBL18171335 0.80 AIMP2 (0.80) HTR1ASIGMAR1AIMP2KMT2ATSHR
SCHEMBL13718018 0.79 HPGD (0.56) SIGMAR1KMT2ATSHRHPGDALDH1A1
SCHEMBL8029610 0.77 AIMP2 (0.53) SIGMAR1AIMP2KMT2ATSHRMEN1
SCHEMBL8031431 0.76 SIGMAR1 (1.00) HTR1AADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL31061719 0.76 SIGMAR1 (1.00) HTR1AADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL5080239 0.75 KMT2A (0.78) KMT2ATSHRMEN1ALDH1A1MAPK1
SCHEMBL11631159 0.74 TSHR (0.72) KMT2ATSHRMEN1ALDH1A1MAPT
SCHEMBL3355843 0.73 CYP1A2 (0.53) AIMP2KMT2ATSHRALDH1A1MAPT

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