SCHEMBL9213764

SCHEMBL9213764

CN(CCN1CCNC1=C(C#N)C#N)c1ccc(CN2CCOCC2)o1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MYC P01106 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9852487 0.91 HRH3 (0.34) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9218010 0.91 HRH3 (0.34) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9212791 0.90 PRKCQ (0.30)
SCHEMBL9207992 0.89 HRH3 (0.31) HRH3
SCHEMBL9217079 0.89 HRH3 (0.33) HRH3KDM4EALDH1A1HSD17B10
SCHEMBL9210546 0.86
SCHEMBL9219614 0.86 ACHE (0.30) HRH3
SCHEMBL9276596 0.84 ALDH1A1 (0.34) HTTHRH3KDM4EALDH1A1HPGD
SCHEMBL9273203 0.84 HRH2 (0.33) HRH3KDM4EMAPTALDH1A1HPGD
SCHEMBL9215498 0.83 HRH3 (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