SCHEMBL4985477

SCHEMBL4985477

COC(=O)CCc1ccc(OCC2CN(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PPARG P37231 1/20 0.35
VDR P11473 1/20 0.34
PPARD Q03181 1/20 0.34
YAP1 P46937 2/20 0.33
EPHX2 P34913 1/20 0.33
FFAR1 O14842 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
GRIN2C Q14957 1/20 0.33
GCK P35557 1/20 0.32
NR1D1 P20393 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL3493592 0.91 KAT7 (0.37) PPARGYAP1TP53LMNA
SCHEMBL3496017 0.88 TP53 (0.44) TP53LMNA
SCHEMBL3494574 0.85 PARP10 (0.37) TP53LMNANR1D1MEN1KMT2A
SCHEMBL3492817 0.84 ABHD6 (0.38) YAP1FFAR1
SCHEMBL13340161 0.84 KAT7 (0.38) YAP1
SCHEMBL3493665 0.84 BCL2 (0.38) CNR1CNR2TP53LMNAGAA
SCHEMBL3493594 0.84 CNR2 (0.34) CNR1CNR2PPARGVDRPPARD
SCHEMBL4982433 0.83 CPT2 (0.37) TP53LMNA
SCHEMBL3493707 0.80 CA1 (0.35) TP53LMNA
SCHEMBL3491920 0.80 ABHD6 (0.38) YAP1

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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed