SCHEMBL7622309

SCHEMBL7622309

N[C@H](C(=O)NCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
MALT1 Q9UDY8 2/20 0.38
CNR1 P21554 2/20 0.38
NPY1R P25929 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL7622303 1.00 GLS (0.41) GLSHTTATMPOLBMALT1
SCHEMBL7643594 0.82 KMT2A (0.45) KMT2A
SCHEMBL7774834 0.82 HPGD (0.41) POLBKMT2A
SCHEMBL7643596 0.82 KMT2A (0.45) KMT2A
SCHEMBL7645866 0.82 KMT2A (0.45) KMT2A
SCHEMBL3217867 0.81 CTSC (0.42) POLB
Bromide SCHEMBL9551371 0.81 KMT2A (0.44) KMT2A
SCHEMBL7622435 0.81 CTSC (0.42) POLB
SCHEMBL4986522 0.80 HTT (0.56) HTTATMCNR1NPY1RKMT2A
SCHEMBL1363687 0.80 CTSS (0.37) HTTATMPOLBNPY1RKMT2A

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
US-6448282-B1 H3 HISTAMINE RECEPTOR ANTAGONIST ACTIVITY; ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE, DEPRESSION, SCHIZOPHRENIA, NARCOLEPSY, SLEEP APNEA, INSOMNIA, EPILEPSY, HYPOTHALAMIC DYSFUNCTION GLIATECH, INC. 2002-09-10 US disclosed
US-6166060-A 1H-4(5)-substituted imidazole derivatives GLIATECH, INC. (US) 2000-12-26 US disclosed