SCHEMBL740703

SCHEMBL740703

COCCCn1c(C2CCCN(C(=O)C3CNCC3NC(=O)OCC3c4ccccc4-c4ccccc43)C2)nc(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
OPRD1 P41143 1/20 0.32
PRCP P42785 1/20 0.32
TLR2 O60603 3/20 0.32
TLR1 Q15399 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MDM2 Q00987 2/20 0.31
KMT2A Q03164 2/20 0.31
REN P00797 2/20 0.31
POLB P06746 1/20 0.31
PIN1 Q13526 1/20 0.30
BRD4 O60885 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL762453 0.90 HRH1 (0.39) RENPOLBBRD4
Ammonia Solution, Strong SCHEMBL741029 0.90 HRH1 (0.39) RENPOLBBRD4
SCHEMBL741030 0.78 HRH1 (0.38) RENPOLBBRD4
SCHEMBL763016 0.77 MMP7 (0.41)
SCHEMBL742177 0.73 KCNH2 (0.44) RENPOLBBRD4
SCHEMBL742179 0.73 HRH1 (0.44) POLB
SCHEMBL742178 0.73 KCNH2 (0.44) RENPOLBBRD4
SCHEMBL764341 0.71 HRH1 (0.41) PRCPRENPOLB
SCHEMBL762828 0.70 HRH1 (0.41) PRCPRENPOLB
SCHEMBL762793 0.69 KCNH2 (0.40) ALDH1A1TSHRPRCPRENPOLB

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