SCHEMBL8091444

SCHEMBL8091444

O=C(CCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
MAPT P10636 1/20 0.76
ALDH1A1 P00352 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HTR1A P08908 5/20 0.72
HTR7 P34969 4/20 0.72
KDM4E B2RXH2 1/20 0.70
TSHR P16473 1/20 0.70
GRM5 P41594 1/20 0.68
ME2 P23368 1/20 0.66
ME1 P48163 1/20 0.66
ME3 Q16798 1/20 0.66
GFER P55789 1/20 0.64
SIGMAR1 Q99720 2/20 0.64

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
SCHEMBL16501806 0.94 MEN1 (0.78) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3796071 0.89 MAPT (0.80) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4907919 0.88 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2824683 0.86 MAPT (1.00) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2820899 0.86 KMT2A (0.74) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3791872 0.86 GFER (0.74) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4352910 0.83 MEN1 (0.79) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3799394 0.83 GFER (0.74) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9320601 0.82 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL7258453 0.82 ME2 (0.57) MEN1KMT2AMAPTALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP disclosed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO disclosed