SCHEMBL7872529

SCHEMBL7872529

Cc1cc(-c2ccccc2CCCO)ccc1[C@@H]1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
KCNH2 Q12809 3/20 0.41
HTR2A P28223 1/20 0.40
IKBKB O14920 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL7863962 0.88 HTR2A (0.43) RENKCNH2HTR2ACHRNB2CHRNA4
SCHEMBL7863764 0.84 REN (0.58) RENKCNH2IKBKB
SCHEMBL7870969 0.82 REN (0.49) RENKCNH2IKBKB
SCHEMBL7872769 0.82 REN (0.55) RENKCNH2IKBKB
SCHEMBL7863795 0.82 REN (0.54) RENKCNH2HTR2AIKBKB
SCHEMBL7867634 0.81 REN (0.44) RENKCNH2
SCHEMBL7867597 0.80 CHRNB2 (0.46) HTR2ACHRNB2CHRNA4
SCHEMBL7865871 0.79 REN (0.48) RENKCNH2IKBKB
SCHEMBL10202454 0.77 REN (0.51) RENKCNH2
SCHEMBL7863792 0.77 REN (0.44) RENKCNH2IKBKB

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-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed