SCHEMBL9212929

SCHEMBL9212929

CC1CCCC(C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.34
ACHE P22303 2/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL9215404 0.90 CXCR4 (0.39) HRH3
SCHEMBL9217083 0.86 ACHE (0.36) HRH3ACHE
SCHEMBL9273208 0.85 ACHE (0.36) HRH3ACHEKMT2A
SCHEMBL9217125 0.84 ACHE (0.46) HRH3ACHE
SCHEMBL9218033 0.84 ACHE (0.47) HRH3ACHE
SCHEMBL9218017 0.84 ACHE (0.47) HRH3ACHE
SCHEMBL9219515 0.83 SCN9A (0.32) HRH3ACHEKMT2A
SCHEMBL9208005 0.83 ACHE (0.37) HRH3ACHE
SCHEMBL9210553 0.82 ACHE (0.37) ACHE
SCHEMBL9276600 0.82 ACHE (0.37) HRH3ACHE

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