SCHEMBL1900590

SCHEMBL1900590

COC(=O)c1ccc(OCc2ccccc2)c(C(CC(N)(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 3/20 0.42
F7 P08709 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
LNPEP Q9UIQ6 3/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
F3 P13726 2/20 0.41
PRSS3 P35030 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL9207681 0.91 MRGPRX4 (0.46) HPGDSMN1; SMN2RAB9ANPC1MRGPRX4
Hydrochloric Acid SCHEMBL2599577 0.90 MRGPRX4 (0.45) HPGDSMN1; SMN2RAB9ANPC1MRGPRX4
SCHEMBL8106269 0.83 CA12 (0.43) HPGDLMNASMN1; SMN2NPC1EGFR
SCHEMBL9220687 0.82 CHRM2 (0.43) HPGDSMN1; SMN2RAB9ANPC1MRGPRX4
SCHEMBL724361 0.81 CCR5 (0.48) LMNASMN1; SMN2RAB9A
SCHEMBL1354912 0.80 CHRM2 (0.53) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL1354913 0.80 CHRM2 (0.53) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL10604975 0.79 HPGD (0.56) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL1901761 0.75 HPGD (0.42) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL7752289 0.75 HPGD (0.42) HPGDLMNASMPD1HDAC1HDAC8

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-2323967-A2 FESOTERODINE COMPRISING A REDUCED AMOUNT OF DEHYDROXYFESOTERODINE Actavis Group PTC EHF (IS) 2011-05-25 EP disclosed
WO-2010010464-A2 FESOTERODINE SUBSTANTIALLY FREE OF DEHYDROXY IMPURITY ACTAVIS GROUP PTC EHF (IS) 2010-01-28 WO disclosed