SCHEMBL5301145

SCHEMBL5301145

COc1ccc(C2OCCO2)c2c1N(Cc1ccc(-c3ccsc3)nc1)C(=O)CC2.COc1ccc(C2OCCO2)c2c1N(Cc1ccc(Cl)nc1)C(=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ P2RX3 P56373 4/20 0.33
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ APLNR P35414 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ CXCR3 P49682 4/20 0.30

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
SCHEMBL97263 0.95 CYP11B1 (0.38) CYP11B1CYP11B2P2RX3HCRTR1HCRTR2
SCHEMBL98018 0.90 NPC1 (0.37) HCRTR1HCRTR2ALDH1A1NPC1POLB
SCHEMBL5305530 0.89 NPC1 (0.36) HCRTR1HCRTR2ALDH1A1NPC1POLB
SCHEMBL5305529 0.88 NPC1 (0.36) HCRTR1HCRTR2ALDH1A1NPC1POLB
SCHEMBL98120 0.80 CYP11B1 (0.40) CYP11B1CYP11B2P2RX3ALDH1A1NPC1
SCHEMBL97993 0.74 HCRTR1 (0.34) HCRTR1HCRTR2ALDH1A1POLBPDE4D
Pyridine SCHEMBL5250455 0.69 CYP11B1 (0.34) CYP11B1CYP11B2P2RX3
SCHEMBL97439 0.59 POLB (0.42) ALDH1A1POLBKMT2A
SCHEMBL94894 0.59 CA2 (0.47) HCRTR1HCRTR2ALDH1A1POLBKMT2A
SCHEMBL97445 0.57 POLB (0.43) ALDH1A1POLBKMT2A

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-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
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