SCHEMBL2632967

SCHEMBL2632967

CCC(C)N1CCc2ccc(F)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
TMEM97 Q5BJF2 6/20 0.52
SIGMAR1 Q99720 6/20 0.52
DPP8 Q6V1X1 4/20 0.45
DPP9 Q86TI2 4/20 0.45
DPP7 Q9UHL4 4/20 0.45
DPP4 P27487 3/20 0.45
HTR7 P34969 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.38
NAMPT P43490 2/20 0.38

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
SCHEMBL12382091 0.86 KCNH2 (0.47) KCNH2TMEM97SIGMAR1DPP8DPP9
SCHEMBL9963386 0.84 KCNH2 (0.50) KCNH2TMEM97SIGMAR1DPP8DPP9
SCHEMBL22817021 0.82 DRD1 (0.47) HRH3
SCHEMBL10311216 0.82 HTR2A (0.43) KCNH2TMEM97SIGMAR1HTR7HRH3
SCHEMBL2632898 0.82 HTR2A (0.43) KCNH2TMEM97SIGMAR1HTR7HRH3
SCHEMBL2632966 0.79 MAOA (0.50) HRH3KMT2A
SCHEMBL20756303 0.79 MAOA (0.50) HRH3KMT2A
SCHEMBL7894841 0.78 KCNH2 (0.50) KCNH2TMEM97SIGMAR1DPP8DPP9
SCHEMBL23102118 0.76 ACACB (0.44) KCNH2TMEM97SIGMAR1HTR7TRPV3
SCHEMBL13713708 0.75 MAOB (0.56) HRH3KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed