SCHEMBL6444145

SCHEMBL6444145

CCC(CC)N(c1nc(C)nc(N)c1Cl)c1c(C)cc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6429736 0.86 CRHR1 (0.36) CRHR1
SCHEMBL5776917 0.68 NOS2 (0.41) CRHR1
SCHEMBL5431809 0.68
SCHEMBL5844680 0.66 LMNA (0.33) CRHR1HTT
SCHEMBL6428273 0.60 CRHR1 (0.41) CRHR1
SCHEMBL18551663 0.60 SIGMAR1 (0.40)
SCHEMBL22704314 0.59 MEN1 (0.48) HTT
SCHEMBL21447163 0.59 CRHR1 (0.48) CRHR1
SCHEMBL5844836 0.59 CRHR1 (0.55) CRHR1
SCHEMBL22699501 0.58 ADORA1 (0.34) CRHR1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed