SCHEMBL9380802

SCHEMBL9380802

O=C(c1ccc(Cl)cc1)C1CCN(CCO)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
MGLL Q99685 8/20 0.61
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM2B Q8NHM5 1/20 0.56
HTR2A P28223 2/20 0.55
HTR7 P34969 2/20 0.55
HTR2C P28335 1/20 0.55
HTR6 P50406 1/20 0.55
HSD11B1 P28845 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL8155672 0.88 KDM2B (0.71) KCNH2MGLLLMNATP53MAPT
SCHEMBL11747892 0.88 KCNH2 (0.64) KCNH2MGLLLMNATP53MAPT
SCHEMBL11519875 0.85 KCNH2 (0.62) KCNH2MGLLLMNATP53MAPT
SCHEMBL8714691 0.85 HTR2A (0.74) LMNAHTR2AHTR7HTR2CHTR6
SCHEMBL11621419 0.83 DRD2 (0.65) KCNH2MGLLMEN1KMT2AHTR2A
Hydrochloric Acid SCHEMBL11617320 0.82 DRD2 (0.63) KCNH2MGLLMEN1KMT2AHTR2A
SCHEMBL14638479 0.82 MGLL (0.61) KCNH2MGLLLMNATP53MAPT
SCHEMBL12642631 0.81 KCNH2 (0.74) KCNH2MGLLLMNATP53MAPT
SCHEMBL3391998 0.81 MGLL (0.69) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL5468238 0.80 KCNH2 (0.56) KCNH2MGLLLMNATP53MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401707-B1 Heterocyclic triazin or triazolo compounds having serotonin 2-receptor antagonistic activity DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5232924-A Cardiovascular disorders DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-08-03 US disclosed
EP-0401707-A1 Heterocyclic triazin or triazolo compounds having serotonin 2-receptor antagonistic activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed