SCHEMBL9215394

SCHEMBL9215394

CC1CCCCN1Cc1ccc(N(C)CCN2CCNC2=C(C#N)C#N)o1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 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
SCHEMBL9212919 0.90 HRH3 (0.33) HRH3KCNH2KMT2A
SCHEMBL9218010 0.86 HRH3 (0.34) HRH3ALDH1A1KDM4EKMT2A
SCHEMBL9852487 0.86 HRH3 (0.34) HRH3ALDH1A1KDM4EKMT2A
SCHEMBL9273203 0.84 HRH2 (0.33) HRH3ALDH1A1KDM4EKMT2AHRH2
SCHEMBL9207992 0.84 HRH3 (0.31) HRH3
SCHEMBL9219614 0.83 ACHE (0.30) HRH3
SCHEMBL9213764 0.81 HTT (0.36) HRH3ALDH1A1KDM4E
SCHEMBL9210546 0.81
SCHEMBL9215404 0.81 CXCR4 (0.39) HRH3ALDH1A1NPSR1
SCHEMBL9212791 0.81 PRKCQ (0.30)

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 3 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
EP-0413343-A2 Furan derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-20 EP disclosed