SCHEMBL4050776

SCHEMBL4050776

CC(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)NCCO

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.75
CNR2 P34972 2/20 0.48
HTR4 Q13639 4/20 0.43
HTR3A P46098 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CFD P00746 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL13690891 0.95 CNR1 (0.73) CNR1CNR2HTR4HTR3AKDM4E
SCHEMBL4054508 0.88 CNR1 (0.63) CNR1CNR2HTR4HTR3AACHE
SCHEMBL4050611 0.88 CNR1 (0.63) CNR1CNR2HTR4HTR3AACHE
SCHEMBL13691030 0.88 CNR1 (0.63) CNR1CNR2HTR4HTR3AACHE
SCHEMBL4051085 0.88 CNR1 (0.80) CNR1CNR2HTR4HTR3AKDM4E
SCHEMBL4560432 0.87 CNR1 (0.83) CNR1CNR2HTR4HTR3AKDM4E
SCHEMBL4052482 0.86 CNR1 (1.00) CNR1CNR2HTR4HTR3AKDM4E
SCHEMBL13691214 0.86 CNR1 (1.00) CNR1CNR2HTR4HTR3AKDM4E
SCHEMBL29706145 0.86 CNR1 (1.00) CNR1CNR2HTR4HTR3AKDM4E
SCHEMBL13690864 0.85 CNR1 (0.69) CNR1CNR2HTR4HTR3AKDM4E

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