SCHEMBL13928752

SCHEMBL13928752

Cc1cc(OC(C)(C)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ DRD4 P21917 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL13928770 0.90 ALDH1A1 (0.54) SMN1; SMN2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL13928761 0.88 SMN1; SMN2 (0.46) SMN1; SMN2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4211853 0.85 SMN1; SMN2 (0.54) SMN1; SMN2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL13928725 0.84 NPSR1 (0.43) SMN1; SMN2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4215450 0.84 SSTR4 (0.38) SMN1; SMN2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL13928754 0.83 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL13928753 0.82 SSTR4 (0.38) POLBCYP3A4CYP2C9DRD4DRD2
SCHEMBL4207043 0.82 MCHR1 (0.52) SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL4207301 0.81 DRD2 (0.39) DRD4DRD2
SCHEMBL5882127 0.78 SSTR4 (0.38) CYP3A4CYP2C9ALDH1A1DRD4DRD2

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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