SCHEMBL738937

SCHEMBL738937

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)CNC(=O)c3cccc(Oc4ccccc4)c3)C2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.45
KCNH2 Q12809 5/20 0.45
CYP2D6 P10635 3/20 0.45
CHRM1 P11229 1/20 0.45
ALDH1A1 P00352 1/20 0.41
ADORA2A P29274 4/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MCHR1 Q99705 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL738939 1.00 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1ALDH1A1
SCHEMBL738938 1.00 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1ALDH1A1
SCHEMBL740732 0.94 ADORA2A (0.44) HRH1KCNH2CYP2D6CHRM1ADORA2A
SCHEMBL740733 0.94 ADORA2A (0.44) HRH1KCNH2CYP2D6CHRM1ADORA2A
SCHEMBL740731 0.94 ADORA2A (0.44) HRH1KCNH2CYP2D6CHRM1ADORA2A
SCHEMBL739089 0.94 HRH1 (0.47) HRH1KCNH2CYP2D6CHRM1ALDH1A1
SCHEMBL739088 0.94 HRH1 (0.47) HRH1KCNH2CYP2D6CHRM1ALDH1A1
SCHEMBL739087 0.94 HRH1 (0.47) HRH1KCNH2CYP2D6CHRM1ALDH1A1
SCHEMBL740677 0.92 KCNH2 (0.46) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL740676 0.92 KCNH2 (0.46) HRH1KCNH2CYP2D6CHRM1USP2

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