SCHEMBL9212403

SCHEMBL9212403

CN(CCN1CCNC1=C(C#N)C#N)c1cc(CN2CCCCC2)co1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32

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
SCHEMBL9218332 0.83 HRH3 (0.32) HRH3
SCHEMBL9852487 0.82 HRH3 (0.34) ALDH1A1HRH3
SCHEMBL9218010 0.82 HRH3 (0.34) ALDH1A1HRH3
SCHEMBL9216470 0.81 HRH3 (0.32) HRH3
SCHEMBL9217109 0.79 L3MBTL1 (0.35) HRH3
SCHEMBL9212413 0.77 HRH3 (0.33) HRH3
SCHEMBL9216868 0.75 MAPT (0.32) HRH3
SCHEMBL7664998 0.74 HRH3 (0.50) ALDH1A1HRH3
SCHEMBL9218568 0.74 HRH3 (0.34) ALDH1A1HRH3
SCHEMBL9218339 0.73 APP (0.34) HRH3

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-0413343-B1 Furan derivatives KYOWA HAKKO KOGYO KK (JP) 1995-08-02 EP disclosed
US-5075301-A FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS KYOWA HAKKO KOGYO, CO., LTD. (JP) 1991-12-24 US disclosed