SCHEMBL9722016

SCHEMBL9722016

CCc1cc(N)c(C2CCCCC2)c(N)c1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
CNR1 P21554 7/20 0.33
CNR2 P34972 6/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
ABCB11 O95342 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
PDE4A P27815 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL3425985 0.83 CNR1 (0.35) CNR1CNR2JAK2JAK1JAK3
SCHEMBL3392968 0.81 CNR1 (0.33) CNR1CNR2JAK2JAK1JAK3
SCHEMBL16593858 0.80 EPHX2 (0.38) EPHX2CNR1CNR2JAK2JAK1
SCHEMBL10430419 0.79 EPHX2 (0.37) EPHX2CNR1CNR2JAK2JAK1
SCHEMBL4539596 0.78 CNR1 (0.32) CNR1CNR2NOS3NOS1NOS2
SCHEMBL3424739 0.76 CNR1 (0.35) EPHX2CNR1CNR2
SCHEMBL3428803 0.76 NOS3 (0.31) CNR1CNR2NOS3NOS1NOS2
SCHEMBL8167267 0.76 NOS3 (0.32) NOS3NOS1NOS2HTT
SCHEMBL3425615 0.74 CNR1 (0.34) EPHX2CNR1CNR2
SCHEMBL3395275 0.74 CNR1 (0.39) CNR1CNR2

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
US-5106875-A Copolymers of an olefin-modified polyether or -ester and an N-vinyl-heterocylic compound as dispersants and emulsifiers BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
US-5059632-A NOVEL COPOLYMERS AND THEIR USE AS AUXILIARIES AND/OR ADDITIVES IN FORMULATIONS FOR THE PREPARATION OF POLYISOCYANATE ADDITION POLYMERIZATION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed