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Sugi Predict / Compounds / SCHEMBL5742333

SCHEMBL5742333

SCHEMBL5742333

CCn1c(=O)n(C(=O)NCC2CCN(CC(COCc3ccccc3)NC(=O)Nc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ CCR3 P51677 1/20 0.38

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 0.88 HTR4 (0.43) HTR4BRD4TMEM97SIGMAR1HTR3A
SCHEMBL5742835 0.86 HTR4 (0.42) HTR4BRD4TMEM97SIGMAR1HTR3A
SCHEMBL5740967 0.85 HTR4 (0.41) HTR4BRD4TMEM97SIGMAR1HTR3A
SCHEMBL3304360 0.80 HTR4 (0.43) HTR4TMEM97SIGMAR1HTR3A
Hydrochloric Acid SCHEMBL3297629 0.80 HTR4 (0.43) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3300553 0.79 HTR4 (0.42) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3301226 0.78 FAAH (0.45) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3299666 0.77 FAAH (0.45) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL5761437 0.77 HTR4 (0.41) HTR4TMEM97SIGMAR1HTR3A
Hydrochloric Acid SCHEMBL3302841 0.77 FAAH (0.44) 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 2 patents. 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
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 — — EP disclosed