SCHEMBL740684

SCHEMBL740684

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccccc4)cc3)C2)nc2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.40
KCNH2 Q12809 7/20 0.40
CYP2D6 P10635 7/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 3/20 0.38
NLRP3 Q96P20 2/20 0.38
BTK Q06187 1/20 0.36
HTR2B P41595 1/20 0.36
PROKR1 Q8TCW9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL740685 1.00 HRH1 (0.40) HRH1KCNH2CYP2D6TP53THRB
SCHEMBL738739 0.92 HRH1 (0.46) HRH1KCNH2CYP2D6CHRM1HTR2B
SCHEMBL738740 0.92 HRH1 (0.46) HRH1KCNH2CYP2D6CHRM1HTR2B
SCHEMBL740944 0.92 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL741802 0.92 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL740154 0.91 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1
SCHEMBL740155 0.91 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1
SCHEMBL739362 0.90 HRH1 (0.40) HRH1KCNH2CYP2D6TP53THRB
SCHEMBL739066 0.89 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL739065 0.89 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1PROKR1

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