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SCHEMBL4057564

SCHEMBL4057564

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2c(F)cccc12)C(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.39
▸ CNR2 P34972 5/20 0.39
▸ HTR4 Q13639 4/20 0.38
▸ HTR3A P46098 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ROCK1 Q13464 4/20 0.35
▸ GRM4 Q14833 1/20 0.35

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
SCHEMBL13690591 1.00 CNR1 (0.39) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL13690589 0.95 CNR1 (0.38) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL4052577 0.95 CNR1 (0.38) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL4051299 0.92 CNR1 (0.47) CNR1CNR2HTR4HTR3A
SCHEMBL13690828 0.92 CNR1 (0.47) CNR1CNR2HTR4HTR3A
SCHEMBL4056470 0.91 CNR1 (0.41) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL13691009 0.91 CNR1 (0.41) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL13690954 0.91 CNR1 (0.41) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL13690665 0.90 CNR1 (0.41) CNR1CNR2HTR4HTR3ACYP3A4
SCHEMBL4051582 0.90 CNR1 (0.42) CNR1CNR2HTR4HTR3ACYP3A4

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed