SCHEMBL762673

SCHEMBL762673

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3cccc(-c4ccccc4)c3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.41
KCNH2 Q12809 5/20 0.41
CYP2D6 P10635 3/20 0.41
CHRM1 P11229 1/20 0.41
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAOA P21397 1/20 0.38
KLK5 Q9Y337 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ACE P12821 1/20 0.38
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HRH2 P25021 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL763858 0.95 KCNH2 (0.42) HRH1KCNH2CYP2D6CHRM1KLK5
SCHEMBL763220 0.93 TP53 (0.41) HRH1KCNH2CYP2D6CHRM1MCHR1
SCHEMBL16301247 0.92 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1MCHR1
SCHEMBL762785 0.91 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1CTSB
SCHEMBL739548 0.91 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1KLK5
SCHEMBL739547 0.91 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1KLK5
SCHEMBL16301237 0.90 HRH1 (0.40) HRH1KCNH2CYP2D6CHRM1KLK5
SCHEMBL16301236 0.90 KCNH2 (0.47) HRH1KCNH2CYP2D6CHRM1MCHR1
SCHEMBL739119 0.90 HRH1 (0.39) HRH1KCNH2CYP2D6CHRM1HRH2
SCHEMBL739120 0.90 HRH1 (0.39) HRH1KCNH2CYP2D6CHRM1HRH2

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed