SCHEMBL5866965

SCHEMBL5866965

CCC(CC)n1nc(Nc2c(C)cc(C)cc2C)c2cnc(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.40
SRC P12931 1/20 0.34
LCK P06239 1/20 0.33
LMNA P02545 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL7015575 0.81 CRHR1 (0.47) CRHR1LCKLMNA
SCHEMBL5866914 0.76 CRHR1 (0.43) CRHR1TP53MAPT
SCHEMBL5866990 0.72 CRHR1 (0.66) CRHR1TP53MAPT
SCHEMBL5866812 0.69 CRHR1 (0.45) CRHR1LCKRAPGEF4
SCHEMBL7506309 0.68
SCHEMBL5866999 0.68 CRHR1 (0.60) CRHR1LCKTP53MAPT
SCHEMBL5867048 0.67 CRHR1 (0.45) CRHR1
SCHEMBL7018361 0.66 CRHR1 (0.44) CRHR1
SCHEMBL5599986 0.64 CRHR1 (0.39) CRHR1
SCHEMBL5599789 0.64 CRHR1 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992188-B1 Substituted heterocyclic derivatives PFIZER, INC. (US) 2006-01-31 US disclosed