SCHEMBL2790302

SCHEMBL2790302

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(NC(=O)NC4CCCC4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.40
CNR2 P34972 1/20 0.36
EPHX2 P34913 8/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR4 Q13639 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SHMT2 P34897 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2R P25116 1/20 0.35
EPHX1 P07099 2/20 0.34

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
SCHEMBL2790303 1.00 PROKR1 (0.40) PROKR1CNR2EPHX2ADRB1ADRB3
SCHEMBL2792613 0.99 PROKR1 (0.40) PROKR1CNR2EPHX2ADRB1ADRB3
SCHEMBL2792611 0.99 PROKR1 (0.40) PROKR1CNR2EPHX2ADRB1ADRB3
SCHEMBL2789741 0.98 PROKR1 (0.41) PROKR1CNR2EPHX2ADRB1ADRB3
SCHEMBL2790206 0.93 PROKR1 (0.42) PROKR1CNR2HTR4MEN1KMT2A
SCHEMBL2790692 0.93 PROKR1 (0.42) PROKR1CNR2HTR4MEN1KMT2A
SCHEMBL2790078 0.92 PROKR1 (0.43) PROKR1CNR2HTR4KMT2ANPC1
SCHEMBL2790426 0.91 PROKR1 (0.42) PROKR1CNR2HTR4MEN1KMT2A
SCHEMBL2791208 0.91 PROKR1 (0.41) PROKR1CNR2HTR4MEN1KMT2A
SCHEMBL2790427 0.91 PROKR1 (0.42) PROKR1CNR2HTR4MEN1KMT2A

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