SCHEMBL14622763

SCHEMBL14622763

COC(=O)C(C)(C)c1cccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.67
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2B6 P20813 2/20 0.60
▸ HRH1 P35367 3/20 0.55
▸ KCNH2 Q12809 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PDE3A Q14432 1/20 0.51

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
Hydrochloric Acid SCHEMBL2994361 0.99 CYP2J2 (0.66) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2265221 0.90 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL14621796 0.90 CYP2J2 (0.71) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL2985989 0.90 CYP2J2 (0.76) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11798280 0.84 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL6826935 0.83 LMNA (0.71) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2456116 0.83 CYP2J2 (0.73) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11541690 0.82 CYP2J2 (0.83) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL28121117 0.82 CYP2J2 (0.68) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.81 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

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
WO-2007007347-A1 INDUSTRIAL PROCESS OF FEXOFENADINE HYDROCHLORIDE WITH CONTROLLED SIDE PRODUCTS WOCKHARDT LIMITED (IN) 2007-01-18 — — WO disclosed
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