SCHEMBL9216873

SCHEMBL9216873

N#CC(C#N)=C1NCCN1CCNCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
HTT P42858 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
SCHEMBL9219620 0.79 ACHE (0.34)
SCHEMBL9217125 0.78 ACHE (0.46) SCN9A
SCHEMBL9218033 0.78 ACHE (0.47) CYP1A2ALDH1A1CYP2C9
SCHEMBL9852543 0.77 SCN9A (0.30) SCN9A
SCHEMBL9213773 0.77 ACHE (0.38) CYP2D6ALDH1A1CYP2C19HTT
SCHEMBL9212797 0.76 ACHE (0.38)
SCHEMBL9212929 0.76 HRH3 (0.34) KMT2A
SCHEMBL9217113 0.75 L3MBTL1 (0.35)
SCHEMBL9216482 0.75 L3MBTL1 (0.33)
SCHEMBL9212413 0.75 HRH3 (0.33) SCN9A

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