SCHEMBL7644948

SCHEMBL7644948

CC(=O)NC(CC1CCCCC1)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.43
MMP2 P08253 14/20 0.43
MMP1 P03956 12/20 0.43
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL7644955 1.00 MMP3 (0.43) MMP3MMP2MMP1CTSSCTSK
SCHEMBL3210794 0.82 METAP2 (0.41) MMP3MMP2MMP1
SCHEMBL7620530 0.82 METAP2 (0.41) MMP3MMP2MMP1
SCHEMBL8066528 0.82 KMT2A (0.35) CTSSCTSK
SCHEMBL3221064 0.81 MMP3 (0.56) MMP3MMP2MMP1MMP9
SCHEMBL19051467 0.80 GNPAT (0.36) MMP2CTSSCTSKMMP9
SCHEMBL11358247 0.80 KMT2A (0.32)
SCHEMBL18381413 0.78 HDAC1 (0.40)
SCHEMBL3221055 0.77 F2RL1 (0.47) MMP3MMP2MMP1
SCHEMBL7971147 0.74 MEN1 (0.43)

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