SCHEMBL8364679

SCHEMBL8364679

O=C(NCc1ccccc1)Oc1c(Cl)cc(-c2nn(C3CCN(CCCC(F)(F)F)CC3)c(=O)o2)c2c1OCCO2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.36
GPR55 Q9Y2T6 4/20 0.34
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
HTR4 Q13639 3/20 0.33
CCR3 P51677 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8368942 0.91 HTR4 (0.38) CNR1GPR55HTR4DRD3
SCHEMBL8368968 0.88 CNR1 (0.38) CNR1GPR55P2RX7
SCHEMBL8365005 0.86 CNR1 (0.37) CNR1GPR55
SCHEMBL8308397 0.79 HTR4 (0.49) HTR4DRD2DRD3
Capeserod SCHEMBL4707724 0.73 HTR4 (0.45) CNR1GPR55HTR4DRD2
SCHEMBL8366414 0.73 MAPT (0.40) CNR1GPR55KMT2A
Capeserod SCHEMBL399091 0.72 HTR4 (0.44) CNR1GPR55HTR4DRD2DRD3
SCHEMBL8309066 0.71 HTR4 (0.46) GPR55HTR4DRD3
SCHEMBL6956182 0.71 BCHE (0.36) CNR1GPR55HTR4FAAH
SCHEMBL8368075 0.70 MAPT (0.40) CNR1GPR55KMT2A

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-5929089-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed