SCHEMBL2228790

SCHEMBL2228790

N#Cc1cccc(CN2CCCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
PRMT6 Q96LA8 1/20 0.56
FAAH O00519 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL29809589 1.00 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL13834236 1.00 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL2227448 0.98 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL29678370 0.98 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL27912351 0.95 FAAH (0.56) HRH3SMN1; SMN2ALDH1A1TDP1PRMT6
SCHEMBL20804353 0.91 FAAH (0.63) HRH3FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL28024099 0.91 FAAH (0.63) HRH3FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL639856 0.85 CHRM3 (0.60) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL38659199 0.85 CHRM3 (0.60) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL26115483 0.85 FAAH (0.54) HRH3ALDH1A1FAAHCYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed