SCHEMBL7843769

SCHEMBL7843769

O=C(CCc1c[nH]c2ccccc12)NCCOc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 4/20 0.61
FAAH O00519 1/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MTNR1A P48039 2/20 0.59
HDAC1 Q13547 1/20 0.59
AANAT Q16613 1/20 0.57
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL7677886 0.85 MEN1 (0.84) GFERMEN1KMT2AMAPTGAA
SCHEMBL21980996 0.83 MAPT (0.63) GFERMEN1KMT2AMAPTGAA
SCHEMBL28045702 0.83 MAPT (0.83) MEN1KMT2AMAPTFAAHGAA
SCHEMBL7852879 0.83 GFER (0.84) GFERMEN1KMT2AMAPTGAA
SCHEMBL7973988 0.82 MEN1 (0.71) GFERMEN1KMT2AMAPTGAA
SCHEMBL25935893 0.81 MAPT (0.60) GFERMEN1KMT2AMAPTGAA
SCHEMBL27099044 0.81 MTNR1A (0.77) GFERMEN1KMT2AMAPTGAA
SCHEMBL7849267 0.81 GFER (0.72) GFERMEN1KMT2AMAPTGAA
Acetic Acid SCHEMBL7972183 0.81 MAPT (0.66) GFERMEN1KMT2AMAPTGAA
SCHEMBL9117842 0.80 MEN1 (0.76) GFERMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed