SCHEMBL7470192

SCHEMBL7470192

CCCCCOc1nc(CC)c(-c2ccc(OCC)cc2OC)nc1CC

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.59
CACNA2D1 P54289 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LRRK2 Q5S007 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7475717 0.88 CRHR1 (0.60) CRHR1THRATHRB
SCHEMBL6201091 0.86 CRHR1 (0.43) CRHR1
SCHEMBL7477942 0.85 CRHR1 (0.49) CRHR1TP53MAPT
SCHEMBL7482386 0.85 CRHR1 (0.42) CRHR1MAPT
SCHEMBL7478515 0.84 CRHR1 (0.50) CRHR1TP53MAPT
SCHEMBL6202927 0.83 CRHR1 (0.45) CRHR1
SCHEMBL6200122 0.83 CRHR1 (0.47) CRHR1
SCHEMBL6203954 0.82 CRHR1 (0.44) CRHR1
SCHEMBL6203563 0.82 CRHR1 (0.44) CRHR1
SCHEMBL7474501 0.82 CRHR1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP claimed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO claimed