SCHEMBL6428408

SCHEMBL6428408

CCC(CC)Nc1c(C)cnc(Oc2c(C)cccc2C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
SCN4A P35499 9/20 0.34
LMNA P02545 3/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
NFKB1 P19838 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
KCNK3 O14649 1/20 0.34
CACNA1F O60840 1/20 0.34
KCNK2 O95069 1/20 0.34
GBA1 P04062 1/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6430253 0.85 CRHR1 (0.42) CRHR1SCN4ASCN5ASCN9A
SCHEMBL6430833 0.77 CRHR1 (0.52) CRHR1
SCHEMBL5844077 0.73 CRHR1 (0.60) CRHR1
SCHEMBL6393222 0.70 CRHR1 (0.44) CRHR1
SCHEMBL8344779 0.68 CRHR1 (0.47) CRHR1
SCHEMBL5843339 0.68 CRHR1 (0.79) CRHR1
SCHEMBL6428405 0.68 HTR1A (0.35) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL6466890 0.66 CRHR1 (0.37) CRHR1LMNA
SCHEMBL6430783 0.63 CRHR1 (0.72) CRHR1
SCHEMBL306967 0.62 HSP90AA1 (0.44) SCN4ALMNASCN9ACYP1A2CYP3A4

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