SCHEMBL9722145

SCHEMBL9722145

CN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Br)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.67
LMNA P02545 3/20 0.67
SIGMAR1 Q99720 2/20 0.67
KCNH2 Q12809 2/20 0.67
NR1I2 O75469 1/20 0.67
ADRA2A P08913 1/20 0.67
ACHE P22303 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP19A1 P11511 2/20 0.40
GAA P10253 1/20 0.40
TMEM97 Q5BJF2 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PYCR1 P32322 1/20 0.36

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
SCHEMBL9722093 0.84 LMNA (0.68) CYP2D6LMNASIGMAR1KCNH2NR1I2
SCHEMBL9722157 0.83 LMNA (0.67) CYP2D6LMNASIGMAR1KCNH2NR1I2
SCHEMBL9721975 0.83 LMNA (0.67) CYP2D6LMNASIGMAR1KCNH2NR1I2
SCHEMBL9722004 0.83 LMNA (0.67) CYP2D6LMNASIGMAR1KCNH2NR1I2
SCHEMBL6906283 0.82 CYP2D6 (0.65) CYP2D6LMNASIGMAR1KCNH2NR1I2
SCHEMBL9722000 0.81 ACHE (0.64) CYP2D6LMNASIGMAR1KCNH2NR1I2
Butenafine SCHEMBL20456391 0.80 CYP2D6 (1.00) CYP2D6LMNASIGMAR1KCNH2NR1I2
Butenafine SCHEMBL29354083 0.80 CYP2D6 (1.00) CYP2D6LMNASIGMAR1KCNH2NR1I2
Butenafine SCHEMBL65526 0.80 CYP2D6 (1.00) CYP2D6LMNASIGMAR1KCNH2NR1I2
Butenafine SCHEMBL676912 0.79 LMNA (0.97) CYP2D6LMNASIGMAR1KCNH2NR1I2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP claimed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP claimed
US-5120735-A Synergistic mixture of miconazole, ketoconazole or fluconazole and N-4-tertbutylbenzyl-N-methyl-1-naphthalenemethylamine KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-06-09 US disclosed
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP disclosed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed