SCHEMBL2790079

SCHEMBL2790079

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)OCCN5C)cc3)C2)cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
PROKR1 Q8TCW9 6/20 0.35
CNR2 P34972 1/20 0.34
DGAT1 O75907 2/20 0.33
SYK P43405 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GRM5 P41594 1/20 0.32
USP30 Q70CQ3 1/20 0.32
RORC P51449 1/20 0.32
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MDM2 Q00987 1/20 0.32
REN P00797 1/20 0.32
LIPC P11150 1/20 0.32

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
SCHEMBL742755 0.89 HRH1 (0.39) HDAC4PROKR1
SCHEMBL742754 0.89 HRH1 (0.39) HDAC4PROKR1
SCHEMBL7901834 0.87 PROKR1 (0.39) PROKR1CNR2DPP4DPP9
SCHEMBL740111 0.86 CFD (0.34) HDAC4SYKGRM5DPP4DPP9
SCHEMBL740110 0.86 CFD (0.34) HDAC4SYKGRM5DPP4DPP9
SCHEMBL2789838 0.85 PROKR1 (0.37) PROKR1CNR2RORCDPP4DPP9
SCHEMBL7898489 0.85 DPP4 (0.38) PROKR1CNR2RORCDPP4DPP9
SCHEMBL7902499 0.84 PROKR1 (0.37) PROKR1CNR2DPP4DPP9
SCHEMBL2792434 0.84 PROKR1 (0.40) PROKR1CNR2DPP4DPP9
SCHEMBL7892716 0.84 PROKR1 (0.39) PROKR1CNR2DPP4DPP9

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