SCHEMBL7863792

SCHEMBL7863792

Cc1cc(-c2ccccc2CCNC(=O)c2cnn(C)c2)ccc1[C@@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.44
KCNH2 Q12809 11/20 0.44
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
PROKR1 Q8TCW9 1/20 0.40
IKBKB O14920 2/20 0.40
CHEK1 O14757 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL7863764 0.84 REN (0.58) RENKCNH2CYP3A4IKBKB
SCHEMBL7872769 0.83 REN (0.55) RENKCNH2CYP3A4IKBKB
SCHEMBL7870969 0.83 REN (0.49) RENKCNH2CYP3A4IKBKB
SCHEMBL7863795 0.83 REN (0.54) RENKCNH2CYP3A4IKBKB
SCHEMBL10202498 0.82 REN (0.53) RENKCNH2LMNAHPGDCYP3A4
SCHEMBL7865871 0.80 REN (0.48) RENKCNH2CYP3A4IKBKB
SCHEMBL7867634 0.78 REN (0.44) RENKCNH2CYP3A4
SCHEMBL7872529 0.77 REN (0.41) RENKCNH2IKBKB
SCHEMBL7863962 0.75 HTR2A (0.43) RENKCNH2
SCHEMBL7862530 0.74 REN (0.63) RENKCNH2CYP3A4IKBKB

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