SCHEMBL7004409

SCHEMBL7004409

NC(=O)C(c1ccccc1)n1cnc2c1CCC(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.37
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL24869663 0.77 MAPT (0.36) KMT2AP2RX7
Hydrochloric Acid SCHEMBL7333482 0.69 MMP3 (0.38) P2RX7
SCHEMBL11584605 0.66 KMT2A (0.56) KMT2A
SCHEMBL2195728 0.64 MEN1 (0.41) TRPM8KMT2A
SCHEMBL1417680 0.64 PDK1 (0.34)
SCHEMBL31132517 0.62 MMP3 (0.41)
SCHEMBL9337496 0.62 FGFR1 (0.47) KMT2ATDP1
SCHEMBL24869246 0.62 P2RX7 (0.31) P2RX7
Hydrochloric Acid SCHEMBL7324922 0.61 MMP3 (0.40)
SCHEMBL22207807 0.60 ALDH1A1 (0.46) KMT2ATDP1

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-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed