SCHEMBL28024099

SCHEMBL28024099

N#Cc1cccc(CN2CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.63
CYP19A1 P11511 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
SIGMAR1 Q99720 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 2/20 0.51
DRD2 P14416 2/20 0.51
CHRM3 P20309 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 1/20 0.50
TACR1 P25103 1/20 0.49

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
SCHEMBL20804353 1.00 FAAH (0.63) FAAHCYP19A1CYP11B1CYP11B2SIGMAR1
SCHEMBL2227448 0.93 HRH3 (0.60) FAAHCYP19A1CYP11B1CYP11B2HRH3
SCHEMBL29678370 0.93 HRH3 (0.60) FAAHCYP19A1CYP11B1CYP11B2HRH3
SCHEMBL27912351 0.93 FAAH (0.56) FAAHCYP19A1CYP11B1CYP11B2HRH3
SCHEMBL1482500 0.92 HRH3 (0.60) FAAHHRH3KCNJ1KCNH2DRD4
SCHEMBL17683623 0.92 FAAH (0.56) FAAHCYP19A1CYP11B1CYP11B2SIGMAR1
SCHEMBL29809149 0.92 HRH3 (0.60) FAAHHRH3KCNJ1KCNH2DRD4
SCHEMBL29809589 0.91 HRH3 (0.62) FAAHCYP19A1CYP11B1CYP11B2HRH3
SCHEMBL13834236 0.91 HRH3 (0.62) FAAHCYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2228790 0.91 HRH3 (0.62) FAAHCYP19A1CYP11B1CYP11B2HRH3

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
CN-103025816-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2015-07-22 CN disclosed