SCHEMBL5742835

SCHEMBL5742835

CCn1c(=O)n(C(=O)NCC2CCN(CC(CC(N)=O)NC(=O)Nc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR3A P46098 1/20 0.41
BRD4 O60885 1/20 0.40
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR3 P51677 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL5743742 0.91 HTR4 (0.43) HTR4TMEM97SIGMAR1HTR3ABRD4
SCHEMBL5740967 0.88 HTR4 (0.41) HTR4TMEM97SIGMAR1HTR3ABRD4
SCHEMBL5742333 0.86 HTR4 (0.40) HTR4TMEM97SIGMAR1HTR3ABRD4
SCHEMBL3304360 0.78 HTR4 (0.43) HTR4TMEM97SIGMAR1HTR3ACNR2
Hydrochloric Acid SCHEMBL3297629 0.77 HTR4 (0.43) HTR4TMEM97SIGMAR1HTR3ACNR2
SCHEMBL3300553 0.76 HTR4 (0.42) HTR4TMEM97SIGMAR1HTR3ACNR2
SCHEMBL3301226 0.76 FAAH (0.45) HTR4TMEM97SIGMAR1HTR3AALDH1A1
SCHEMBL2336973 0.75 HTR4 (0.42) HTR4TMEM97SIGMAR1HTR3ACNR2
SCHEMBL2337246 0.75 DRD4 (0.51) TMEM97SIGMAR1L3MBTL1
SCHEMBL3299666 0.75 FAAH (0.45) HTR4TMEM97SIGMAR1HTR3A

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
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP claimed