SCHEMBL2789936

SCHEMBL2789936

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 11/20 0.37
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 3/20 0.32
PDE3A Q14432 1/20 0.31
BTK Q06187 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
RIPK1 Q13546 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
SCHEMBL2813997 0.93 PROKR1 (0.38) PROKR1DPP4ALDH1A1TSHRKMT2A
SCHEMBL2788346 0.93 DPP4 (0.35) DPP4BTKDPP8DPP9DPP7
SCHEMBL2791526 0.93 PROKR1 (0.38) PROKR1DPP4BTKDPP8DPP9
SCHEMBL2792291 0.88 DPP4 (0.33) PROKR1DPP4ALDH1A1TSHRKMT2A
SCHEMBL2792294 0.88 DPP4 (0.33) PROKR1DPP4ALDH1A1TSHRKMT2A
SCHEMBL2791310 0.87 CNR2 (0.36) PROKR1DPP4ALDH1A1TSHRKMT2A
SCHEMBL2789519 0.86 CNR2 (0.36) PROKR1DPP4ALDH1A1TSHRKMT2A
SCHEMBL7891283 0.86 DPP4 (0.35) PROKR1DPP4BTKDPP8DPP9
SCHEMBL7900019 0.86 PROKR1 (0.39) PROKR1DPP4BTKDPP8DPP9
SCHEMBL7898820 0.86 DPP4 (0.35) PROKR1DPP4BTKDPP8DPP9

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
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