SCHEMBL2813997

SCHEMBL2813997

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(N)nc4)cc3)C2)cc2ccc(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.38
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 2/20 0.32
BTK Q06187 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CFD P00746 2/20 0.32
PDE2A O00408 3/20 0.32
KIT P10721 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL2789936 0.93 PROKR1 (0.37) PROKR1DPP4ALDH1A1BTKTSHR
SCHEMBL7891283 0.93 DPP4 (0.35) PROKR1DPP4BTKCFD
SCHEMBL7900019 0.93 PROKR1 (0.39) PROKR1DPP4BTK
SCHEMBL7904628 0.92 PROKR1 (0.40) PROKR1DPP4BTKCFD
SCHEMBL2790135 0.92 PROKR1 (0.40) PROKR1DPP4BTKCFD
SCHEMBL7900932 0.92 PROKR1 (0.40) PROKR1DPP4BTKCFD
SCHEMBL2790609 0.91 PROKR1 (0.34) PROKR1DPP4BTKCFDPDE2A
SCHEMBL2790607 0.91 PROKR1 (0.34) PROKR1DPP4BTKCFDPDE2A
SCHEMBL2792291 0.91 DPP4 (0.33) PROKR1DPP4ALDH1A1BTKTSHR
SCHEMBL2792294 0.91 DPP4 (0.33) PROKR1DPP4ALDH1A1BTKTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO claimed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed