SCHEMBL739743

SCHEMBL739743

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)CNS(=O)(=O)c3ccccc3)C2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.45
KCNH2 Q12809 10/20 0.45
CYP2D6 P10635 6/20 0.45
CHRM1 P11229 3/20 0.44
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
BLM P54132 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL739745 1.00 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL739744 1.00 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL741326 0.94 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL741324 0.94 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL741325 0.94 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL740673 0.94 GAA (0.47) HRH1KCNH2CYP2D6CHRM1POLB
SCHEMBL740674 0.94 GAA (0.47) HRH1KCNH2CYP2D6CHRM1POLB
SCHEMBL740672 0.94 GAA (0.47) HRH1KCNH2CYP2D6CHRM1POLB
SCHEMBL741655 0.92 L3MBTL1 (0.43) HRH1KCNH2CYP2D6CHRM1GAA
SCHEMBL739050 0.92 DPP4 (0.40) HRH1KCNH2CYP2D6CHRM1MAPT

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