SCHEMBL7620530

SCHEMBL7620530

N[C@@H](CC1CCCCC1)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.41
METAP1 P53582 2/20 0.41
CIT O14578 3/20 0.39
REN P00797 1/20 0.35
MMP2 P08253 4/20 0.35
MMP3 P08254 4/20 0.35
MMP1 P03956 3/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL3210794 1.00 METAP2 (0.41) METAP2METAP1CITRENMMP2
SCHEMBL7644955 0.82 MMP3 (0.43) MMP2MMP3MMP1
SCHEMBL7644948 0.82 MMP3 (0.43) MMP2MMP3MMP1
SCHEMBL3221064 0.81 MMP3 (0.56) MMP2MMP3MMP1
SCHEMBL15398762 0.80 NLN (0.39)
SCHEMBL7624049 0.80 NLN (0.42)
SCHEMBL7624042 0.80 NLN (0.42)
SCHEMBL15398758 0.78 DPP7 (0.44)
SCHEMBL2820574 0.78 NLN (0.36)
SCHEMBL27623099 0.78 NLN (0.36)

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