SCHEMBL27606331

SCHEMBL27606331

CNCCC(c1nc(C)nc2c1CCN2c1ccc(C(F)(F)F)cc1C(F)(F)F)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.47
TRPV1 Q8NER1 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PHGDH O43175 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
GPR52 Q9Y2T5 2/20 0.32
FFAR1 O14842 1/20 0.31
SRD5A1 P18405 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL6746257 0.78 CRHR1 (0.38) CRHR1CYP1A2CYP2C19PHGDHHTR1A
SCHEMBL27606346 0.78 CRHR1 (0.39) CRHR1
SCHEMBL5493011 0.77 CRHR1 (0.47) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL5487814 0.75 CRHR1 (0.53) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL2190889 0.74 CRHR1 (0.54) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL27624988 0.74 CRHR1 (0.52) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL6746234 0.73 CRHR1 (0.57) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL5497559 0.73 CRHR1 (0.40) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL5493014 0.72 CRHR1 (0.51) CRHR1TRPV1CYP1A2CYP2C19PHGDH
SCHEMBL5487816 0.71 CRHR1 (0.53) CRHR1TRPV1CYP1A2CYP2C19PHGDH

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
CN-1649848-A Fused pyrimidines derivatives as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LTD (GB) 2005-08-03 CN claimed
CN-1649848-A Fused pyrimidines derivatives as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LTD (GB) 2005-08-03 CN disclosed