SCHEMBL6645359

SCHEMBL6645359

CCCCCCCNc1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.35
CRHR1 P34998 4/20 0.35
ABL1 P00519 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALPG P10696 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
SCHEMBL5039764 0.92 CRHR1 (0.32) CRHR1
SCHEMBL6645857 0.92 ACHE (0.36) ACHECRHR1HPGDNPSR1KDM4E
SCHEMBL5043421 0.84 CRHR1 (0.31) CRHR1
SCHEMBL6646487 0.83 CRHR1 (0.34) CRHR1
SCHEMBL6648719 0.82 RXRA (0.35) CRHR1KDM4EALDH1A1
SCHEMBL5518409 0.82 CRHR1 (0.35) CRHR1
SCHEMBL5048617 0.80 TSHR (0.44) CRHR1HPGDALDH1A1
SCHEMBL5520250 0.78 RXRA (0.38) CRHR1HPGDALDH1A1
SCHEMBL14031211 0.78 PKM (0.33) CRHR1
SCHEMBL5039393 0.77 CRHR1 (0.32) CRHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 EP claimed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO claimed
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 EP disclosed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO disclosed