SCHEMBL9722004

SCHEMBL9722004

CN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
CYP2D6 P10635 2/20 0.67
SIGMAR1 Q99720 2/20 0.67
ACHE P22303 2/20 0.67
KCNH2 Q12809 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
NR1I2 O75469 1/20 0.67
ADRA2A P08913 1/20 0.67
HTR2A P28223 1/20 0.67
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP19A1 P11511 2/20 0.40
GAA P10253 1/20 0.40
TMEM97 Q5BJF2 1/20 0.38
METAP2 P50579 1/20 0.36
CYP2A6 P11509 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL9722093 0.84 LMNA (0.68) LMNACYP2D6SIGMAR1ACHEKCNH2
SCHEMBL9721975 0.83 LMNA (0.67) LMNACYP2D6SIGMAR1ACHEKCNH2
SCHEMBL9722157 0.83 LMNA (0.67) LMNACYP2D6SIGMAR1ACHEKCNH2
SCHEMBL9722145 0.83 CYP2D6 (0.67) LMNACYP2D6SIGMAR1ACHEKCNH2
SCHEMBL9722000 0.81 ACHE (0.64) LMNACYP2D6SIGMAR1ACHEKCNH2
Butenafine SCHEMBL65526 0.80 CYP2D6 (1.00) LMNACYP2D6SIGMAR1ACHEKCNH2
Butenafine SCHEMBL29354083 0.80 CYP2D6 (1.00) LMNACYP2D6SIGMAR1ACHEKCNH2
Butenafine SCHEMBL20456391 0.80 CYP2D6 (1.00) LMNACYP2D6SIGMAR1ACHEKCNH2
Butenafine SCHEMBL262301 0.79 LMNA (0.97) LMNACYP2D6SIGMAR1ACHEKCNH2
Butenafine SCHEMBL676912 0.79 LMNA (0.97) LMNACYP2D6SIGMAR1ACHEKCNH2

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