SCHEMBL9215512

SCHEMBL9215512

CCN(CC)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 2/20 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
SCHEMBL9852543 0.91 SCN9A (0.30) SCN9A
SCHEMBL9219620 0.90 ACHE (0.34)
SCHEMBL9219515 0.89 SCN9A (0.32) RAB9ASCN9A
SCHEMBL9217125 0.82 ACHE (0.46) GAASCN9A
SCHEMBL9218017 0.82 ACHE (0.47) GAANPC1RAB9AALDH1A1
SCHEMBL9218033 0.82 ACHE (0.47) GAANPC1RAB9AALDH1A1
SCHEMBL9213773 0.81 ACHE (0.38) LMNAHTTALDH1A1
SCHEMBL9217083 0.81 ACHE (0.36) ALDH1A1
SCHEMBL9212797 0.80 ACHE (0.38)
SCHEMBL9212929 0.80 HRH3 (0.34)

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