SCHEMBL7483753

SCHEMBL7483753

CCCCCOc1nc(CC)c(-c2ccc(OCCF)cc2Cl)nc1CC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.47
CNR1 P21554 4/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GCGR P47871 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 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
SCHEMBL7477942 0.90 CRHR1 (0.49) CRHR1CNR1
SCHEMBL7472211 0.86 CRHR1 (0.48) CRHR1CNR1LIMK1LIMK2
SCHEMBL6204021 0.85 CRHR1 (0.56) CRHR1CNR1
SCHEMBL7477440 0.84 CRHR1 (0.44) CRHR1CNR1
SCHEMBL7479299 0.84 CRHR1 (0.65) CRHR1CNR1
SCHEMBL5412657 0.84 CRHR1 (0.69) CRHR1
SCHEMBL5409704 0.81 CRHR1 (0.71) CRHR1CNR1
SCHEMBL7480028 0.80 CRHR1 (0.47) CRHR1CNR1
SCHEMBL5409778 0.79 CRHR1 (0.64) CRHR1CNR1
SCHEMBL5410139 0.77 CRHR1 (0.71) 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