SCHEMBL6587599

SCHEMBL6587599

O=C(CCc1ccccc1)N1CCN(c2nsnc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.56
ME2 P23368 2/20 0.55
ME1 P48163 2/20 0.55
ME3 Q16798 2/20 0.55
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GFER P55789 1/20 0.54
FKBP1A P62942 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
AR P10275 1/20 0.49
HTR1A P08908 2/20 0.48
HTR7 P34969 1/20 0.47
NAAA Q02083 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
SCHEMBL6587595 0.81 HTR1A (0.51) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL7131839 0.78 NPC1 (0.86) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL2289613 0.76 KMT2A (0.61) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL2824683 0.76 MAPT (1.00) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL3796071 0.76 MAPT (0.80) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL4314831 0.75 HTR1A (0.41) KMT2AMAPTALDH1A1POLBHTR1A
SCHEMBL3799761 0.75 KMT2A (0.67) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL8984794 0.74 NPC1 (0.69) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL14747850 0.74 NPC1 (0.73) KMT2AMAPTMEN1ALDH1A1ME2
SCHEMBL3801360 0.74 NPC1 (0.73) KMT2AMAPTMEN1ALDH1A1ME2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161424-B1 NEW DIAZOLE DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-06-02 EP disclosed