SCHEMBL7186429

SCHEMBL7186429

CCCCCc1ccc(CNNCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 1/20 0.46
TST Q16762 1/20 0.46

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
SCHEMBL8776979 0.89 KCNH2 (0.63) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL28534367 0.87 KCNH2 (0.61) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL28525880 0.87 KCNH2 (0.61) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL547838 0.83 KCNH2 (0.60) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL7208484 0.83 ESR1 (0.46) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10466226 0.79 KCNH2 (0.53) KCNH2ESRRGS1PR1S1PR3S1PR2
SCHEMBL13322019 0.79 KCNH2 (0.57) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL9421161 0.78 KCNH2 (0.51) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL4576536 0.77 KCNH2 (0.50) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL7652240 0.77 HPGD (0.50) KCNH2ALDH1A1LMNAESRRGSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed