SCHEMBL6167873

SCHEMBL6167873

CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1NCCCc1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.45
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DHCR7 Q9UBM7 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL6168948 0.88 CRHR1 (0.41) CRHR1ALDH1A1
SCHEMBL6167259 0.83 CRHR1 (0.44) CRHR1BCHEACHEKDM4EALDH1A1
SCHEMBL6165056 0.83 CRHR1 (0.43) CRHR1BCHEACHEKDM4EALDH1A1
SCHEMBL6167869 0.79 CRHR1 (0.55) CRHR1
SCHEMBL6168505 0.77 CRHR1 (0.42) CRHR1ALDH1A1
SCHEMBL6166502 0.76 CRHR1 (0.47) CRHR1
SCHEMBL6164604 0.76 CRHR1 (0.41) CRHR1ALDH1A1
SCHEMBL6166200 0.73 CRHR1 (0.65) CRHR1
SCHEMBL6347154 0.72 CRHR1 (0.48) CRHR1
SCHEMBL6168626 0.72 CRHR1 (0.41) 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-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP claimed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO claimed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed