SCHEMBL9215404

SCHEMBL9215404

CC1CCCCN1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.39
HRH3 Q9Y5N1 7/20 0.38
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9212929 0.90 HRH3 (0.34) HRH3
SCHEMBL9217125 0.86 ACHE (0.46) HRH3
SCHEMBL9217083 0.85 ACHE (0.36) HRH3ALDH1A1NPSR1
SCHEMBL9218017 0.85 ACHE (0.47) HRH3ALDH1A1
SCHEMBL9218033 0.85 ACHE (0.47) HRH3ALDH1A1
SCHEMBL9273208 0.84 ACHE (0.36) HRH3ALDH1A1
SCHEMBL9219515 0.82 SCN9A (0.32) HRH3
SCHEMBL9208005 0.82 ACHE (0.37) HRH3
SCHEMBL9210553 0.81 ACHE (0.37) ALDH1A1NPSR1
SCHEMBL9276600 0.81 ACHE (0.37) HRH3ALDH1A1

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