SCHEMBL7203203

SCHEMBL7203203

N#Cc1ccc(CCCCn2ccnc2)c(OCc2cccc(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.49
HMOX2 P30519 1/20 0.49
TBXAS1 P24557 2/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
ADRA2C P18825 1/20 0.45
HMOX1 P09601 1/20 0.44
CACNA1B Q00975 1/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5597242 0.78 SLC6A4 (0.43) CYP11B1CYP11B2CYP19A1
SCHEMBL3500166 0.75 CYP11B1 (0.56) TBXAS1CYP11B1CYP11B2CYP19A1FNTA
Hydrochloric Acid SCHEMBL7983963 0.74 CYP11B1 (0.55) TBXAS1CYP11B1CYP11B2CYP19A1FNTA
SCHEMBL2356870 0.71 CYP17A1 (0.40) CYP11B1CYP11B2CYP19A1ADRA2CFNTA
SCHEMBL3501181 0.71 FNTA (0.60) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL1719741 0.70 CYP11B1 (0.72) NOS1HMOX2CYP11B1CYP11B2CYP19A1
SCHEMBL2351260 0.69 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1ADRA2CFNTA
SCHEMBL10465907 0.69 MRGPRX4 (0.40) CYP11B1CYP11B2CYP19A1ADRA2CFNTA
SCHEMBL7588280 0.68 TBXAS1 (0.56) TBXAS1CYP19A1HMOX1
SCHEMBL688957 0.68 TBXAS1 (0.88) NOS1HMOX2TBXAS1

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
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed