SCHEMBL13928748

SCHEMBL13928748

Cc1c(C)c(NCC(=O)N(C)C2CCN(CC3(c4ccccc4)CC3)CC2)c(C)c(C)c1N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 18/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SIGMAR1 Q99720 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
SCHEMBL13928756 0.90 CCR5 (0.37) CCR5
SCHEMBL4209657 0.84 KCNH2 (0.53) CCR5KCNH2DRD2HTR2AHTR2C
SCHEMBL4207407 0.82 OPRM1 (0.50) CCR5KCNH2DRD2SIGMAR1
SCHEMBL13928769 0.82 CCR5 (0.41) CCR5KCNH2HTR2AHTR2C
SCHEMBL4210046 0.81 CCR5 (0.46) CCR5
SCHEMBL4215524 0.81 HTT (0.45) DRD2
SCHEMBL4205766 0.80 CCR5 (0.44) CCR5
SCHEMBL4215525 0.79 CCR5 (0.41) CCR5KCNH2
SCHEMBL4208066 0.79 CCR5 (0.38) CCR5
SCHEMBL4202240 0.78 CCR5 (0.37) CCR5

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
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
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